N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine

C17H35N3 — CID 65072853

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(NCC2(N(C)C)CCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-4-20-13-8-9-16(10-14-20)18-15-17(19(2)3)11-6-5-7-12-17/h16,18H,4-15H2,1-3H3
InChIKeyMFZFCRLRVKXTNQ-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds5

About N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine (PubChem CID 65072853) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
PubChem CID65072853
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(NCC2(N(C)C)CCCCC2)CC1
InChIInChI=1S/C17H35N3/c1-4-20-13-8-9-16(10-14-20)18-15-17(19(2)3)11-6-5-7-12-17/h16,18H,4-15H2,1-3H3
InChIKeyMFZFCRLRVKXTNQ-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
CID 105415647
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylpiperidin-3-amine
CID 50984370
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81296817
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
CID 105414514
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,2-dimethylpiperidin-4-amine
CID 81302342
N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
CID 83116241
2-(1-ethylazepan-4-yl)-1,1-dimethylhydrazine
CID 83005446
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
1-[[(1-ethylazepan-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65115830
N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 83107682

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine (CID 65072853) is N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine is CCN1CCCC(NCC2(N(C)C)CCCCC2)CC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine?
The InChIKey is MFZFCRLRVKXTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-4-20-13-8-9-16(10-14-20)18-15-17(19(2)3)11-6-5-7-12-17/h16,18H,4-15H2,1-3H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine is sourced from PubChem (CID 65072853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).