trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine

C9H19NO — CID 93280859

IUPACtrans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
SMILESCCN[C@H]1CCCC[C@@H]1OC
InChIInChI=1S/C9H19NO/c1-3-10-8-6-4-5-7-9(8)11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyGWWTZNXRSFINTF-IUCAKERBSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds3

About trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine

trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine (PubChem CID 93280859) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
PubChem CID93280859
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nametrans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
SMILESCCN[C@H]1CCCC[C@@H]1OC
InChIInChI=1S/C9H19NO/c1-3-10-8-6-4-5-7-9(8)11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1
InChIKeyGWWTZNXRSFINTF-IUCAKERBSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxycyclopentan-1-amine
CID 53276122
N-(cyclopropylmethyl)-2-methoxycyclohexan-1-amine
CID 43756809
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclohexan-1-amine
CID 94302756
2-methoxy-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 43755109
N-ethoxy-2-methoxycyclohexan-1-amine
CID 82710281
N-ethyl-2-[(2-methylpropan-2-yl)oxy]cyclododecan-1-amine
CID 63475627
cis-(1S,2R)-2-methoxy-N-(2-methylpropyl)cyclopentan-1-amine
CID 176752788
2-methoxy-N-pentan-3-ylcyclohexan-1-amine
CID 3126341
N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]cyclohexan-1-amine
CID 104560797
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
ethyl 2-[(2-methoxycyclohexyl)amino]acetate
CID 60810510
trans-(1R,2R)-N-ethyl-2-propan-2-yloxycyclopentan-1-amine
CID 94302774

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine (CID 93280859) is trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine is CCN[C@H]1CCCC[C@@H]1OC.
What is the InChIKey of trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine?
The InChIKey is GWWTZNXRSFINTF-IUCAKERBSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-10-8-6-4-5-7-9(8)11-2/h8-10H,3-7H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine?
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 93280859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).