N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine

C17H40N4 — CID 138492017

IUPACN'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
SMILESCC(C)NCCCNCCCCNCCCN(C)C(C)C
InChIInChI=1S/C17H40N4/c1-16(2)20-14-8-12-18-10-6-7-11-19-13-9-15-21(5)17(3)4/h16-20H,6-15H2,1-5H3
InChIKeyQZCQPKIGLBANHQ-UHFFFAOYSA-N
MW300.53 g/mol
LogP2.06
Rot. Bonds15

About N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine

N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine (PubChem CID 138492017) has the molecular formula C17H40N4 and a molecular weight of 300.53 g/mol. Its IUPAC name is N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
PubChem CID138492017
Molecular FormulaC17H40N4
Molecular Weight300.53 g/mol
Exact Mass300.33
IUPAC NameN'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine
SMILESCC(C)NCCCNCCCCNCCCN(C)C(C)C
InChIInChI=1S/C17H40N4/c1-16(2)20-14-8-12-18-10-6-7-11-19-13-9-15-21(5)17(3)4/h16-20H,6-15H2,1-5H3
InChIKeyQZCQPKIGLBANHQ-UHFFFAOYSA-N
XLogP2.06
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
N,5-dimethyl-N-propan-2-ylhexan-1-amine;4-methyl-N-propan-2-ylpentan-1-amine
CID 159368359
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
N'-methyl-N'-pentan-3-yl-N-propan-2-ylbutane-1,4-diamine
CID 60850483
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
2-[2-[3-[methyl(propan-2-yl)amino]propylamino]ethoxy]ethanol
CID 106045693

Frequently Asked Questions

What is the IUPAC name of N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
The IUPAC name of N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine (CID 138492017) is N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine.
What is the SMILES notation for N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
The canonical SMILES for N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine is CC(C)NCCCNCCCCNCCCN(C)C(C)C.
What is the InChIKey of N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
The InChIKey is QZCQPKIGLBANHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40N4/c1-16(2)20-14-8-12-18-10-6-7-11-19-13-9-15-21(5)17(3)4/h16-20H,6-15H2,1-5H3.
What are the key properties of N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine?
N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine has a molecular weight of 300.53 g/mol, XLogP of 2.06, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[methyl(propan-2-yl)amino]propyl]-N-[3-(propan-2-ylamino)propyl]butane-1,4-diamine is sourced from PubChem (CID 138492017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).