4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine

C19H38N2 — CID 59426592

IUPAC4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
SMILESCCC(C)NC1CCC(CC2CCC(N)C(C)C2)CC1C
InChIInChI=1S/C19H38N2/c1-5-15(4)21-19-9-7-17(11-14(19)3)12-16-6-8-18(20)13(2)10-16/h13-19,21H,5-12,20H2,1-4H3
InChIKeyBCEMCTTYIIWLHN-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.33
Rot. Bonds5

About 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine

4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine (PubChem CID 59426592) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
PubChem CID59426592
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine
SMILESCCC(C)NC1CCC(CC2CCC(N)C(C)C2)CC1C
InChIInChI=1S/C19H38N2/c1-5-15(4)21-19-9-7-17(11-14(19)3)12-16-6-8-18(20)13(2)10-16/h13-19,21H,5-12,20H2,1-4H3
InChIKeyBCEMCTTYIIWLHN-UHFFFAOYSA-N
XLogP4.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine with MolForge

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Related Compounds

Bis(4-amino-3-methylcyclohexyl)methane
CID 91555
4,4'-Methylenebis(N-sec-butylcyclohexamine)
CID 21885336
N'-(2-adamantyl)-N-(3,7-dimethyloctyl)ethane-1,2-diamine
CID 46203796
Bis-(4-amino-3,5-dimethylcyclohexyl)methane
CID 13387417
1-dodecyl-N-ethyladamantan-2-amine
CID 44457362
N'-(2-adamantyl)-N-(3,7,11-trimethyldodecyl)ethane-1,2-diamine
CID 46203798
2-Adamantanamine, N-butyl-, hydrochloride
CID 38256
1-decyl-N-ethyladamantan-2-amine
CID 44457364
N'-[3-(1,3-dicyclohexylpropan-2-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674828
N'-[3-(1,5-dicyclohexylpentan-3-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674830
N'-[3-(1,7-dicyclohexylheptan-4-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674831
N'-[3-(1,9-dicyclohexylnonan-5-ylamino)propyl]propane-1,3-diamine;hydrochloride
CID 90674832

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine (CID 59426592) is 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine is CCC(C)NC1CCC(CC2CCC(N)C(C)C2)CC1C.
What is the InChIKey of 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
The InChIKey is BCEMCTTYIIWLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-15(4)21-19-9-7-17(11-14(19)3)12-16-6-8-18(20)13(2)10-16/h13-19,21H,5-12,20H2,1-4H3.
What are the key properties of 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine?
4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(butan-2-ylamino)-3-methylcyclohexyl]methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 59426592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).