1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine

C10H22N2 — CID 62418784

IUPAC1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)C
InChIInChI=1S/C10H22N2/c1-9(12(2)3)5-4-8-11-10-6-7-10/h9-11H,4-8H2,1-3H3
InChIKeyPBUQERLYPHPXKX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.47
Rot. Bonds6

About 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine

1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine (PubChem CID 62418784) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
PubChem CID62418784
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
SMILESCC(CCCNC1CC1)N(C)C
InChIInChI=1S/C10H22N2/c1-9(12(2)3)5-4-8-11-10-6-7-10/h9-11H,4-8H2,1-3H3
InChIKeyPBUQERLYPHPXKX-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
CID 55072495
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(4-methylhexyl)cyclopropanamine
CID 62529631
1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436358
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
3-N-butan-2-yl-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62416971
1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422981
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301
1-N-cyclopropyl-4-N-(2-methoxyethyl)-4-N-pentan-3-ylpentane-1,4-diamine
CID 62449357

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine (CID 62418784) is 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine is CC(CCCNC1CC1)N(C)C.
What is the InChIKey of 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine?
The InChIKey is PBUQERLYPHPXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(12(2)3)5-4-8-11-10-6-7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine?
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 62418784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).