N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane

C10H26ClN3 — CID 159083467

IUPACN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane
SMILESCCCCl.CN(CCCN)CCCN
InChIInChI=1S/C7H19N3.C3H7Cl/c1-10(6-2-4-8)7-3-5-9;1-2-3-4/h2-9H2,1H3;2-3H2,1H3
InChIKeyKBDMWAVTQNOQLX-UHFFFAOYSA-N
MW223.79 g/mol
LogP1.25
Rot. Bonds7

About N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane (PubChem CID 159083467) has the molecular formula C10H26ClN3 and a molecular weight of 223.79 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane
PubChem CID159083467
Molecular FormulaC10H26ClN3
Molecular Weight223.79 g/mol
Exact Mass223.18
IUPAC NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane
SMILESCCCCl.CN(CCCN)CCCN
InChIInChI=1S/C7H19N3.C3H7Cl/c1-10(6-2-4-8)7-3-5-9;1-2-3-4/h2-9H2,1H3;2-3H2,1H3
InChIKeyKBDMWAVTQNOQLX-UHFFFAOYSA-N
XLogP1.25
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-[butyl(methyl)amino]ethyl-methylamino]ethyl]-N'-methylpropane-1,3-diamine
CID 167586856
N'-(3-aminopropyl)-N'-methylbutane-1,4-diamine
CID 13307740
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
3-[3-aminopropyl(methyl)amino]propan-1-ol
CID 45088131
N'-(2-butoxyethyl)-N'-methylpropane-1,3-diamine
CID 61483382
N-butyl-5-chloro-N-methylpentan-1-amine
CID 61287321
N'-(2-aminoethyl)-N'-methylpentane-1,5-diamine
CID 57004343
N'-methyl-N'-(4-methylpentyl)propane-1,3-diamine
CID 59817423
N'-methyl-N'-[2-[methyl-[2-[methyl-[3-(methylamino)propyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 156899705
N'-[3-[3-aminopropyl(methyl)amino]propyl]butane-1,4-diamine
CID 71344458
N',N'-dimethylpropane-1,3-diamine;docosane
CID 174425037

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane?
The IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane (CID 159083467) is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane.
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane is CCCCl.CN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane?
The InChIKey is KBDMWAVTQNOQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3.C3H7Cl/c1-10(6-2-4-8)7-3-5-9;1-2-3-4/h2-9H2,1H3;2-3H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane?
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane has a molecular weight of 223.79 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;1-chloropropane is sourced from PubChem (CID 159083467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).