1-N-cyclopropyl-2-N-methylbutane-1,2-diamine

C8H18N2 — CID 116950557

IUPAC1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC1CC1)NC
InChIInChI=1S/C8H18N2/c1-3-7(9-2)6-10-8-4-5-8/h7-10H,3-6H2,1-2H3
InChIKeyNVJZJVHQJAZTSC-UHFFFAOYSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds5

About 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine

1-N-cyclopropyl-2-N-methylbutane-1,2-diamine (PubChem CID 116950557) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
PubChem CID116950557
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC1CC1)NC
InChIInChI=1S/C8H18N2/c1-3-7(9-2)6-10-8-4-5-8/h7-10H,3-6H2,1-2H3
InChIKeyNVJZJVHQJAZTSC-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 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 ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethyl-3-methylbutyl)cyclopropanamine
CID 62529769
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
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N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628
N-[2-(trimethylsilylmethyl)butyl]cyclopropanamine
CID 106323165
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-methylbutyl)cyclopentanamine
CID 43200714
(2S)-1-(cyclopropylamino)propan-2-ol
CID 39234971
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-[2-methyl-3-(2-methylbutylsulfanyl)propyl]cyclopropanamine
CID 107754143
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-methylbutan-2-amine
CID 104967146
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
tert-butyl N-[1-[(4-propan-2-ylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250206

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine (CID 116950557) is 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine is CCC(CNC1CC1)NC.
What is the InChIKey of 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
The InChIKey is NVJZJVHQJAZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-7(9-2)6-10-8-4-5-8/h7-10H,3-6H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
1-N-cyclopropyl-2-N-methylbutane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 116950557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).