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

C7H19N3 — CID 22987584

IUPAC1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
SMILESCCC(N)N(C)CCCN
InChIInChI=1S/C7H19N3/c1-3-7(9)10(2)6-4-5-8/h7H,3-6,8-9H2,1-2H3
InChIKeyQZMOONXVPGJPGE-UHFFFAOYSA-N
MW145.25 g/mol
LogP-0.04
Rot. Bonds5

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

1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine (PubChem CID 22987584) has the molecular formula C7H19N3 and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
PubChem CID22987584
Molecular FormulaC7H19N3
Molecular Weight145.25 g/mol
Exact Mass145.16
IUPAC Name1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine
SMILESCCC(N)N(C)CCCN
InChIInChI=1S/C7H19N3/c1-3-7(9)10(2)6-4-5-8/h7H,3-6,8-9H2,1-2H3
InChIKeyQZMOONXVPGJPGE-UHFFFAOYSA-N
XLogP-0.04
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N',N'-bis(1-aminopropyl)butane-1,4-diamine
CID 87162355
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
1-N'-butyl-1-N'-methylpentane-1,1-diamine
CID 91621881
1-N',1-N'-bis(3-aminopropyl)butane-1,1-diamine
CID 87385985
N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 16748474
(1R)-1-N',1-N'-dimethylpropane-1,1-diamine
CID 92569177
N'-(3-aminopropyl)-N'-methylpropane-1,3-diamine;bis(2-methylpropane)
CID 145273852
N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
N'-methyl-N'-pentan-2-ylhexane-1,6-diamine
CID 43572239
bis(N',N'-dimethylpropane-1,3-diamine);dihydrochloride
CID 173033128
N'-butan-2-yl-N'-propan-2-ylpropane-1,3-diamine
CID 43137443

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine?
The IUPAC name of 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine (CID 22987584) is 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine.
What is the SMILES notation for 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine?
The canonical SMILES for 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine is CCC(N)N(C)CCCN.
What is the InChIKey of 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine?
The InChIKey is QZMOONXVPGJPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3/c1-3-7(9)10(2)6-4-5-8/h7H,3-6,8-9H2,1-2H3.
What are the key properties of 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine?
1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine has a molecular weight of 145.25 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-aminopropyl)-1-N'-methylpropane-1,1-diamine is sourced from PubChem (CID 22987584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).