1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine

C17H36N2 — CID 79081785

IUPAC1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCCCCC(NCC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2/c1-5-7-10-13-16(18-6-2)17(19(3)4)14-11-8-9-12-15-17/h16,18H,5-15H2,1-4H3
InChIKeySJTISWRYMFNJCQ-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.20
Rot. Bonds8

About 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine

1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79081785) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79081785
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine
SMILESCCCCCC(NCC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H36N2/c1-5-7-10-13-16(18-6-2)17(19(3)4)14-11-8-9-12-15-17/h16,18H,5-15H2,1-4H3
InChIKeySJTISWRYMFNJCQ-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(ethylamino)heptyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79074441
1-[1-(ethylamino)-5,5,5-trifluoropentyl]-N,N-dimethylcyclopentan-1-amine
CID 115517235
N,N-diethyl-1-[1-(ethylamino)pentyl]cyclopentan-1-amine
CID 79070657
N-ethyl-1-(1-methylcyclohexyl)heptan-1-amine
CID 106829929
1-[1-(ethylamino)-4-(oxolan-2-yl)butyl]-N,N-dimethylcyclohexan-1-amine
CID 79061604
1-[1-(ethylamino)but-3-enyl]-N,N-dimethylcycloheptan-1-amine
CID 79081392
1-[1-(ethylamino)-2-methoxyethyl]-N,N-dimethylcyclopentan-1-amine
CID 79568577
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
CID 79184871
1-[1-(ethylamino)-3-(oxolan-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
CID 79066074
N-ethyl-1-(1-pyrrolidin-1-ylcyclopentyl)octan-1-amine
CID 79059978
1-[1-(ethylamino)-2-phenylethyl]-N,N-dimethylcycloheptan-1-amine
CID 79063752

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine (CID 79081785) is 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine is CCCCCC(NCC)C1(N(C)C)CCCCCC1.
What is the InChIKey of 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is SJTISWRYMFNJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-10-13-16(18-6-2)17(19(3)4)14-11-8-9-12-15-17/h16,18H,5-15H2,1-4H3.
What are the key properties of 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)hexyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79081785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).