N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine

C19H38N2 — CID 65083602

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCC2(N(C)C)CCCC(C)C2)CC1
InChIInChI=1S/C19H38N2/c1-5-17-9-6-10-18(12-11-17)20-15-19(21(3)4)13-7-8-16(2)14-19/h16-18,20H,5-15H2,1-4H3
InChIKeyFHWJSVBDSRDOKU-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds5

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine (PubChem CID 65083602) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine
PubChem CID65083602
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCC2(N(C)C)CCCC(C)C2)CC1
InChIInChI=1S/C19H38N2/c1-5-17-9-6-10-18(12-11-17)20-15-19(21(3)4)13-7-8-16(2)14-19/h16-18,20H,5-15H2,1-4H3
InChIKeyFHWJSVBDSRDOKU-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]thian-4-amine
CID 61210978
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxetan-3-amine
CID 63622541
N,N,3-trimethyl-1-[[(2-methylcyclopentyl)amino]methyl]cyclohexan-1-amine
CID 65045533
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
CID 55202503
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81327337
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81302881
1-[[(4-ethylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 65106934
1-(aminomethyl)-N-(4-ethylcyclohexyl)-N,3-dimethylcyclohexan-1-amine
CID 63471584
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
CID 103243177
1-(dimethylamino)-3-methyl-1-[(sulfamoylamino)methyl]cyclohexane
CID 112686327
1-[(hexan-2-ylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212108

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine (CID 65083602) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(NCC2(N(C)C)CCCC(C)C2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine?
The InChIKey is FHWJSVBDSRDOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-5-17-9-6-10-18(12-11-17)20-15-19(21(3)4)13-7-8-16(2)14-19/h16-18,20H,5-15H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 65083602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).