N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine

C15H35N3 — CID 164863364

IUPACN,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
SMILESCC(C)NCCCN(CCCNC(C)C)C(C)C
InChIInChI=1S/C15H35N3/c1-13(2)16-9-7-11-18(15(5)6)12-8-10-17-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyZLJDWUINMQOFJC-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.47
Rot. Bonds11

About N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine

N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine (PubChem CID 164863364) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
PubChem CID164863364
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC NameN,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
SMILESCC(C)NCCCN(CCCNC(C)C)C(C)C
InChIInChI=1S/C15H35N3/c1-13(2)16-9-7-11-18(15(5)6)12-8-10-17-14(3)4/h13-17H,7-12H2,1-6H3
InChIKeyZLJDWUINMQOFJC-UHFFFAOYSA-N
XLogP2.47
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N,N'-di(propan-2-yl)propane-1,3-diamine
CID 155616242
N'-(2-methoxyethyl)-N,N'-di(propan-2-yl)ethane-1,2-diamine
CID 82949090
N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849268
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
N'-ethyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852012
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
CID 138492017
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 63694492
4-(propan-2-ylamino)butan-1-ol
CID 12950986
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N'-cyclopropyl-N'-methyl-N-propan-2-ylpropane-1,3-diamine
CID 60852014
N'-(2-methylpropyl)-N'-pentan-3-yl-N-propan-2-ylhexane-1,6-diamine
CID 79492004
ethane;N-ethyl-N'-methyl-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine
CID 163269208

Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
The IUPAC name of N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine (CID 164863364) is N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine.
What is the SMILES notation for N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
The canonical SMILES for N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine is CC(C)NCCCN(CCCNC(C)C)C(C)C.
What is the InChIKey of N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
The InChIKey is ZLJDWUINMQOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-13(2)16-9-7-11-18(15(5)6)12-8-10-17-14(3)4/h13-17H,7-12H2,1-6H3.
What are the key properties of N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine?
N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.47, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)-N'-[3-(propan-2-ylamino)propyl]propane-1,3-diamine is sourced from PubChem (CID 164863364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).