N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine

C14H27N — CID 104929557

IUPACN-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
SMILESC=C(C)CCN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C14H27N/c1-12(2)10-11-15-13(3)14-8-6-4-5-7-9-14/h13-15H,1,4-11H2,2-3H3/t13-/m0/s1
InChIKeyIJKFGYQTCCEXHZ-ZDUSSCGKSA-N
MW209.38 g/mol
LogP3.90
Rot. Bonds5

About N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine

N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine (PubChem CID 104929557) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
PubChem CID104929557
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine
SMILESC=C(C)CCN[C@@H](C)C1CCCCCC1
InChIInChI=1S/C14H27N/c1-12(2)10-11-15-13(3)14-8-6-4-5-7-9-14/h13-15H,1,4-11H2,2-3H3/t13-/m0/s1
InChIKeyIJKFGYQTCCEXHZ-ZDUSSCGKSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclohexylethyl)-3-methylbut-3-en-1-amine
CID 114449114
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
3-[[(1R)-1-cycloheptylethyl]amino]-N-ethylpropanamide
CID 81392911
N-(dicyclopropylmethyl)-3-methylbut-3-en-1-amine
CID 114449137
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
2-bromo-N-[(1S)-1-cycloheptylethyl]prop-2-en-1-amine
CID 81392005
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-(2-chloroethyl)-1-cyclohexylethanamine;hydrochloride
CID 173240168
2-chloro-N-[(1S)-1-cyclopentylethyl]prop-2-en-1-amine
CID 81394329
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine (CID 104929557) is N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine is C=C(C)CCN[C@@H](C)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine?
The InChIKey is IJKFGYQTCCEXHZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H27N/c1-12(2)10-11-15-13(3)14-8-6-4-5-7-9-14/h13-15H,1,4-11H2,2-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine?
N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cycloheptylethyl]-3-methylbut-3-en-1-amine is sourced from PubChem (CID 104929557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).