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

C7H19N3 — CID 7777

IUPACN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCCN
InChIInChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKeyKMBPCQSCMCEPMU-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.38
Rot. Bonds6

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

N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine (PubChem CID 7777) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
PubChem CID7777
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC NameN'-(3-aminopropyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)CCCN
InChIInChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
InChIKeyKMBPCQSCMCEPMU-UHFFFAOYSA-N
XLogP-0.38
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Spermidine
CID 1102
N,N-Dimethyl-1,3-propanediamine
CID 7993
Bis(3-aminopropyl)amine
CID 5942
N,N-Diethyl-1,3-propanediamine
CID 61011
N'-(3-(Dimethylamino)propyl)-N,N-dimethyl-1,3-propanediamine
CID 81207
N-Methyl-1,3-propanediamine
CID 80511
Dimethyldipropylenetriamine
CID 82728
Npc322806
CID 6992097
3-(Dibutylamino)propylamine
CID 1626
N-Propyl-1,3-propanediamine
CID 90250
N-Ethyl-1,3-propanediamine
CID 82727
N1,N3-Diethylpropane-1,3-diamine
CID 82334

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine (CID 7777) is N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine is CN(CCCN)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?
The InChIKey is KMBPCQSCMCEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3.
What are the key properties of N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine?
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine has a molecular weight of 145.25 g/mol, XLogP of -0.38, 6 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 is sourced from PubChem (CID 7777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).