N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine

C18H26ClN — CID 104978841

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CCCC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN/c1-14(15-4-6-16(19)7-5-15)20-17-8-12-18(13-9-17)10-2-3-11-18/h4-7,14,17,20H,2-3,8-13H2,1H3/t14-/m0/s1
InChIKeyCOHIKMVNPOIQKQ-AWEZNQCLSA-N
MW291.87 g/mol
LogP5.49
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine

N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine (PubChem CID 104978841) has the molecular formula C18H26ClN and a molecular weight of 291.87 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
PubChem CID104978841
Molecular FormulaC18H26ClN
Molecular Weight291.87 g/mol
Exact Mass291.18
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
SMILESC[C@H](NC1CCC2(CCCC2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H26ClN/c1-14(15-4-6-16(19)7-5-15)20-17-8-12-18(13-9-17)10-2-3-11-18/h4-7,14,17,20H,2-3,8-13H2,1H3/t14-/m0/s1
InChIKeyCOHIKMVNPOIQKQ-AWEZNQCLSA-N
XLogP5.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.87
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 81353525
N-[(1S)-1-(4-fluorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978837
N-[1-(2-chlorophenyl)ethyl]spiro[4.5]decan-8-amine
CID 114817141
N-[(1R)-1-(4-chlorophenyl)ethyl]-1,1-dioxothian-4-amine
CID 81352385
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-(1-pyridin-3-ylethyl)spiro[4.5]decan-8-amine
CID 114817153
N-[1-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43181057
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
4-tert-butyl-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclohexan-1-amine
CID 28528172
N-[1-(4-chlorophenyl)ethyl]-1-oxothian-4-amine
CID 54981751
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730387

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine (CID 104978841) is N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine is C[C@H](NC1CCC2(CCCC2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
The InChIKey is COHIKMVNPOIQKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26ClN/c1-14(15-4-6-16(19)7-5-15)20-17-8-12-18(13-9-17)10-2-3-11-18/h4-7,14,17,20H,2-3,8-13H2,1H3/t14-/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine?
N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine has a molecular weight of 291.87 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]spiro[4.5]decan-8-amine is sourced from PubChem (CID 104978841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).