trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

C19H35NO3 — CID 167957815

IUPACtrans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)O[C@H]1CCCC[C@@H]1NCC1CCCC2(CCOC2)O1
InChIInChI=1S/C19H35NO3/c1-18(2,3)23-17-9-5-4-8-16(17)20-13-15-7-6-10-19(22-15)11-12-21-14-19/h15-17,20H,4-14H2,1-3H3/t15?,16-,17-,19?/m0/s1
InChIKeyRVAFSAHICGCFJO-VIHIWDAPSA-N
MW325.49 g/mol
LogP3.43
Rot. Bonds4

About trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine

trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (PubChem CID 167957815) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
PubChem CID167957815
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Nametrans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
SMILESCC(C)(C)O[C@H]1CCCC[C@@H]1NCC1CCCC2(CCOC2)O1
InChIInChI=1S/C19H35NO3/c1-18(2,3)23-17-9-5-4-8-16(17)20-13-15-7-6-10-19(22-15)11-12-21-14-19/h15-17,20H,4-14H2,1-3H3/t15?,16-,17-,19?/m0/s1
InChIKeyRVAFSAHICGCFJO-VIHIWDAPSA-N
XLogP3.43
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
2-[(2-methylpropan-2-yl)oxy]-N-propylcyclododecan-1-amine
CID 63475623
2-methoxy-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43765488
3-[[(2-methoxycyclopentyl)amino]methyl]oxolan-3-amine
CID 64892424
2,3-dimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclohexan-1-amine
CID 102896724
(2R)-N-tert-butyl-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine
CID 59906415
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)oxolan-3-amine
CID 102897677
N-(cyclopropylmethyl)-2-methoxycyclohexan-1-amine
CID 43756809
2-(iodomethyl)-1,7-dioxaspiro[4.4]nonane
CID 130582607
2-methyl-N-(oxan-4-ylmethyl)cyclohexan-1-amine
CID 62384942
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
N-(cyclohexylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898486

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine (CID 167957815) is trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is CC(C)(C)O[C@H]1CCCC[C@@H]1NCC1CCCC2(CCOC2)O1.
What is the InChIKey of trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
The InChIKey is RVAFSAHICGCFJO-VIHIWDAPSA-N. The full InChI is InChI=1S/C19H35NO3/c1-18(2,3)23-17-9-5-4-8-16(17)20-13-15-7-6-10-19(22-15)11-12-21-14-19/h15-17,20H,4-14H2,1-3H3/t15?,16-,17-,19?/m0/s1.
What are the key properties of trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine?
trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine has a molecular weight of 325.49 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(2,6-dioxaspiro[4.5]decan-7-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 167957815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).