N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine

C14H35N5 — CID 156899705

IUPACN'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
SMILESCNCCCN(C)CCN(C)CCN(C)CCCN
InChIInChI=1S/C14H35N5/c1-16-8-6-10-18(3)12-14-19(4)13-11-17(2)9-5-7-15/h16H,5-15H2,1-4H3
InChIKeyPYVVSRLJADRXMT-UHFFFAOYSA-N
MW273.47 g/mol
LogP-0.26
Rot. Bonds13

About N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine

N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine (PubChem CID 156899705) has the molecular formula C14H35N5 and a molecular weight of 273.47 g/mol. Its IUPAC name is N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
PubChem CID156899705
Molecular FormulaC14H35N5
Molecular Weight273.47 g/mol
Exact Mass273.29
IUPAC NameN'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
SMILESCNCCCN(C)CCN(C)CCN(C)CCCN
InChIInChI=1S/C14H35N5/c1-16-8-6-10-18(3)12-14-19(4)13-11-17(2)9-5-7-15/h16H,5-15H2,1-4H3
InChIKeyPYVVSRLJADRXMT-UHFFFAOYSA-N
XLogP-0.26
TPSA47.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.47
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-dimethyl-N'-[4-(methylamino)butyl]butane-1,4-diamine
CID 21130479
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
3-[3-aminopropyl(methyl)amino]-N-[3-(methylamino)propyl]propanamide
CID 102040289
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
2-[3-aminopropyl(methyl)amino]ethanol;iron(5+);pentacyanide
CID 88790453
N-[3-[3-aminopropyl(methyl)amino]propyl]acetamide
CID 59112836
N'-[5-(2-aminoethylamino)pentyl]-N-methylpentane-1,5-diamine;N'-(2-aminoethyl)-N'-butylethane-1,2-diamine;N'-(2-aminoethyl)-N-methylpentane-1,5-diamine;N'-(3-aminopropyl)-N'-[3-(methylamino)propyl]propane-1,3-diamine;methane;N'-[5-(methylamino)pentyl]pentane-1,5-diamine;N'-[3-[3-(methylamino)propylamino]propyl]propane-1,3-diamine;N'-[3-(methylamino)propyl]propane-1,3-diamine;N'-methyl-N'-[3-(methylamino)propyl]propane-1,3-diamine;N'-methylpentane-1,5-diamine
CID 162113138
N'-butyl-N'-methylpropane-1,3-diamine;N,N-dimethyloctan-1-amine;N-methyl-N',N'-bis[2-(methylamino)ethyl]ethane-1,2-diamine
CID 167573929
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine?
The IUPAC name of N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine (CID 156899705) is N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine?
The canonical SMILES for N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine is CNCCCN(C)CCN(C)CCN(C)CCCN.
What is the InChIKey of N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine?
The InChIKey is PYVVSRLJADRXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35N5/c1-16-8-6-10-18(3)12-14-19(4)13-11-17(2)9-5-7-15/h16H,5-15H2,1-4H3.
What are the key properties of N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine?
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine has a molecular weight of 273.47 g/mol, XLogP of -0.26, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine is sourced from PubChem (CID 156899705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).