1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine

C16H34N2 — CID 63481513

IUPAC1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
SMILESCCCCCCN(CC)C1(CN)CCCCCC1
InChIInChI=1S/C16H34N2/c1-3-5-6-11-14-18(4-2)16(15-17)12-9-7-8-10-13-16/h3-15,17H2,1-2H3
InChIKeyWWVGDTJKDJCWDY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.94
Rot. Bonds8

About 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine

1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine (PubChem CID 63481513) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
PubChem CID63481513
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine
SMILESCCCCCCN(CC)C1(CN)CCCCCC1
InChIInChI=1S/C16H34N2/c1-3-5-6-11-14-18(4-2)16(15-17)12-9-7-8-10-13-16/h3-15,17H2,1-2H3
InChIKeyWWVGDTJKDJCWDY-UHFFFAOYSA-N
XLogP3.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.94
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-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
1-(aminomethyl)-N-heptyl-N-propylcyclohexan-1-amine
CID 63487162
6-[[1-(aminomethyl)cyclohexyl]-ethylamino]hexan-1-ol
CID 107702972
1-(aminomethyl)-N-pentyl-N-propylcyclohexan-1-amine
CID 62006023
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-ethyl-3-methyl-N-octylcyclohexan-1-amine
CID 63485990
1-(aminomethyl)-N-ethyl-N-(3-methoxypropyl)cycloheptan-1-amine
CID 62007736
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 62005984

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine (CID 63481513) is 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine is CCCCCCN(CC)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine?
The InChIKey is WWVGDTJKDJCWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-5-6-11-14-18(4-2)16(15-17)12-9-7-8-10-13-16/h3-15,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine?
1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-hexylcycloheptan-1-amine is sourced from PubChem (CID 63481513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).