1-N-(cyclopropylmethyl)butane-1,3-diamine

C8H18N2 — CID 61151017

IUPAC1-N-(cyclopropylmethyl)butane-1,3-diamine
SMILESCC(N)CCNCC1CC1
InChIInChI=1S/C8H18N2/c1-7(9)4-5-10-6-8-2-3-8/h7-8,10H,2-6,9H2,1H3
InChIKeyDCIBLQSBHHRJAS-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds5

About 1-N-(cyclopropylmethyl)butane-1,3-diamine

1-N-(cyclopropylmethyl)butane-1,3-diamine (PubChem CID 61151017) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)butane-1,3-diamine
PubChem CID61151017
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-(cyclopropylmethyl)butane-1,3-diamine
SMILESCC(N)CCNCC1CC1
InChIInChI=1S/C8H18N2/c1-7(9)4-5-10-6-8-2-3-8/h7-8,10H,2-6,9H2,1H3
InChIKeyDCIBLQSBHHRJAS-UHFFFAOYSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
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-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
3-chloro-N-(cyclopropylmethyl)butan-1-amine
CID 65025281
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
1-N-(cyclopentylmethyl)propane-1,2-diamine
CID 115196604
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
1-N-[(1-methylpiperidin-3-yl)methyl]pentane-1,4-diamine
CID 115203898
(3S)-1-N-(3-methylbutyl)butane-1,3-diamine
CID 86664875
(2R)-4-cyclopropylbutan-2-amine
CID 95367313
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)butane-1,3-diamine (CID 61151017) is 1-N-(cyclopropylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)butane-1,3-diamine is CC(N)CCNCC1CC1.
What is the InChIKey of 1-N-(cyclopropylmethyl)butane-1,3-diamine?
The InChIKey is DCIBLQSBHHRJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-7(9)4-5-10-6-8-2-3-8/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-N-(cyclopropylmethyl)butane-1,3-diamine?
1-N-(cyclopropylmethyl)butane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)butane-1,3-diamine is sourced from PubChem (CID 61151017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).