(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine

C14H27N — CID 81390333

IUPAC(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
SMILESC[C@H](NCC1CCC1)C1CCCCCC1
InChIInChI=1S/C14H27N/c1-12(15-11-13-7-6-8-13)14-9-4-2-3-5-10-14/h12-15H,2-11H2,1H3/t12-/m0/s1
InChIKeySZXOHDIRPKQDOI-LBPRGKRZSA-N
MW209.38 g/mol
LogP3.73
Rot. Bonds4

About (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine

(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine (PubChem CID 81390333) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine.

Molecular Properties

Compound Name(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
PubChem CID81390333
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
SMILESC[C@H](NCC1CCC1)C1CCCCCC1
InChIInChI=1S/C14H27N/c1-12(15-11-13-7-6-8-13)14-9-4-2-3-5-10-14/h12-15H,2-11H2,1H3/t12-/m0/s1
InChIKeySZXOHDIRPKQDOI-LBPRGKRZSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
(1R)-N-(cyclobutylmethyl)-1-cyclopentylethanamine
CID 81393857
(1R)-N-[(4-tert-butylcyclohexyl)methyl]-1-cycloheptylethanamine
CID 104575232
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
(1S)-N-[(4-tert-butylcyclohexyl)methyl]-1-cyclopentylethanamine
CID 104575229
1-cyclohexyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132041
(1S)-1-cyclopentyl-N-(thiolan-3-ylmethyl)ethanamine
CID 107132288
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
1-cyclopentyl-N-ethylethanamine
CID 60819244
N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
CID 43370762

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine?
The IUPAC name of (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine (CID 81390333) is (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine.
What is the SMILES notation for (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine?
The canonical SMILES for (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine is C[C@H](NCC1CCC1)C1CCCCCC1.
What is the InChIKey of (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine?
The InChIKey is SZXOHDIRPKQDOI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N/c1-12(15-11-13-7-6-8-13)14-9-4-2-3-5-10-14/h12-15H,2-11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine?
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine is sourced from PubChem (CID 81390333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).