4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine

C11H25N3 — CID 159216183

IUPAC4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine
SMILESCCC(CN)C1CCC(N)(CN)CC1
InChIInChI=1S/C11H25N3/c1-2-9(7-12)10-3-5-11(14,8-13)6-4-10/h9-10H,2-8,12-14H2,1H3
InChIKeyKRCFVBYQCDYGNM-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.82
Rot. Bonds4

About 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine

4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine (PubChem CID 159216183) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine
PubChem CID159216183
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine
SMILESCCC(CN)C1CCC(N)(CN)CC1
InChIInChI=1S/C11H25N3/c1-2-9(7-12)10-3-5-11(14,8-13)6-4-10/h9-10H,2-8,12-14H2,1H3
InChIKeyKRCFVBYQCDYGNM-UHFFFAOYSA-N
XLogP0.82
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethylcyclohexan-1-amine
CID 43519516
1-(aminomethyl)-4-methylcyclohexan-1-amine
CID 43519520
2-(thiolan-3-yl)butan-1-amine
CID 82596112
1-(2-cycloheptylbutyl)cyclooctan-1-amine
CID 166977672
pentan-3-ylcyclopropane
CID 19042038
2-pyrrolidin-3-ylbutan-1-amine
CID 82594434
1-(2-ethylbutyl)-4-propan-2-ylcyclohexan-1-amine
CID 82920282
3-cyclopropylpentan-1-amine
CID 64919361
1-(cyclopropylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 130515407
(2R)-4-ethyl-2-piperidin-4-ylhexan-1-amine
CID 95241788
1-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 65421379
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine?
The IUPAC name of 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine (CID 159216183) is 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine is CCC(CN)C1CCC(N)(CN)CC1.
What is the InChIKey of 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine?
The InChIKey is KRCFVBYQCDYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-2-9(7-12)10-3-5-11(14,8-13)6-4-10/h9-10H,2-8,12-14H2,1H3.
What are the key properties of 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine?
4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-yl)-1-(aminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 159216183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).