N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine

C16H29NO2 — CID 81384866

IUPACN-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC[C@H](NC1CCOC2(CCOC2)C1)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-19-16(11-15)8-10-18-12-16/h13-15,17H,2-12H2,1H3/t13-,15?,16?/m0/s1
InChIKeyPRMDLNXJARTBLQ-JEYLPNPQSA-N
MW267.41 g/mol
LogP2.88
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine

N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine (PubChem CID 81384866) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
PubChem CID81384866
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
SMILESC[C@H](NC1CCOC2(CCOC2)C1)C1CCCCC1
InChIInChI=1S/C16H29NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-19-16(11-15)8-10-18-12-16/h13-15,17H,2-12H2,1H3/t13-,15?,16?/m0/s1
InChIKeyPRMDLNXJARTBLQ-JEYLPNPQSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-[(1R)-1-cyclohexylethyl]-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 81385058
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
CID 79894126

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine (CID 81384866) is N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine is C[C@H](NC1CCOC2(CCOC2)C1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
The InChIKey is PRMDLNXJARTBLQ-JEYLPNPQSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(14-5-3-2-4-6-14)17-15-7-9-19-16(11-15)8-10-18-12-16/h13-15,17H,2-12H2,1H3/t13-,15?,16?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine?
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine has a molecular weight of 267.41 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 81384866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).