benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine

C16H30N2 — CID 142894012

IUPACbenzene;methanamine;N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C)CC1.CN.c1ccccc1
InChIInChI=1S/C9H19N.C6H6.CH5N/c1-8-4-6-9(7-5-8)10(2)3;1-2-4-6-5-3-1;1-2/h8-9H,4-7H2,1-3H3;1-6H;2H2,1H3
InChIKeyWCHVFFUVNQUIJF-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.39
Rot. Bonds1

About benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine

benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine (PubChem CID 142894012) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Namebenzene;methanamine;N,N,4-trimethylcyclohexan-1-amine
PubChem CID142894012
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Namebenzene;methanamine;N,N,4-trimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)C)CC1.CN.c1ccccc1
InChIInChI=1S/C9H19N.C6H6.CH5N/c1-8-4-6-9(7-5-8)10(2)3;1-2-4-6-5-3-1;1-2/h8-9H,4-7H2,1-3H3;1-6H;2H2,1H3
InChIKeyWCHVFFUVNQUIJF-UHFFFAOYSA-N
XLogP3.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22262
Emepronium
CID 34055
Trimethyldiphenylpropylamine
CID 30966
alpha-benzyl-N-methylphenethylamine
CID 93287
Iem 1365
CID 99869
((R)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-amine
CID 131444
((R)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine
CID 12874567
((S)-1-Methyl-2-phenyl-ethyl)-phenethyl-amine
CID 12874569
((S)-1-Methyl-2-phenyl-ethyl)-(3-phenyl-propyl)-amine
CID 13011906
4-Phenyl-N-(1-phenylpropan-2-yl)butan-1-amine
CID 14831233
4-N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
CID 122649635
(1-Amino-3-phenylpropan-2-yl)dimethylamine
CID 3415764

Frequently Asked Questions

What is the IUPAC name of benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine (CID 142894012) is benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine is CC1CCC(N(C)C)CC1.CN.c1ccccc1.
What is the InChIKey of benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is WCHVFFUVNQUIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C6H6.CH5N/c1-8-4-6-9(7-5-8)10(2)3;1-2-4-6-5-3-1;1-2/h8-9H,4-7H2,1-3H3;1-6H;2H2,1H3.
What are the key properties of benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine?
benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;methanamine;N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 142894012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).