N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline

C18H30N2 — CID 107449072

IUPACN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)C2(CN)CCCC(C(C)C)C2)c1
InChIInChI=1S/C18H30N2/c1-14(2)16-8-6-10-18(12-16,13-19)20(4)17-9-5-7-15(3)11-17/h5,7,9,11,14,16H,6,8,10,12-13,19H2,1-4H3
InChIKeyFASXUUJNKQGXAH-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.97
Rot. Bonds4

About N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline

N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline (PubChem CID 107449072) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
PubChem CID107449072
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)C2(CN)CCCC(C(C)C)C2)c1
InChIInChI=1S/C18H30N2/c1-14(2)16-8-6-10-18(12-16,13-19)20(4)17-9-5-7-15(3)11-17/h5,7,9,11,14,16H,6,8,10,12-13,19H2,1-4H3
InChIKeyFASXUUJNKQGXAH-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448986
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,2,4-trimethylaniline
CID 107449069
4-(aminomethyl)-N-methyl-N-(3-methylphenyl)-1-propan-2-ylazepan-4-amine
CID 65076221
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448937
1-(aminomethyl)-N-methyl-N-(2-phenylethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449169
N'-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,N,N'-trimethylethane-1,2-diamine
CID 107449117
1-(3-methylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449876
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084
1-(aminomethyl)-3-methoxy-N-methyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 106872249
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
N,3-dimethyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]aniline
CID 63493505

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline (CID 107449072) is N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline is Cc1cccc(N(C)C2(CN)CCCC(C(C)C)C2)c1.
What is the InChIKey of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline?
The InChIKey is FASXUUJNKQGXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-14(2)16-8-6-10-18(12-16,13-19)20(4)17-9-5-7-15(3)11-17/h5,7,9,11,14,16H,6,8,10,12-13,19H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline?
N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline has a molecular weight of 274.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-propan-2-ylcyclohexyl]-N,3-dimethylaniline is sourced from PubChem (CID 107449072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).