acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine

C22H43N3O8 — CID 19095095

IUPACacetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCNC1(c2ccccc2)CCCCC1.N.N
InChIInChI=1S/C14H21N.4C2H4O2.2H3N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;4*1-2(3)4;;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;4*1H3,(H,3,4);2*1H3
InChIKeyCKKFADKXVFSDHD-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.14
Rot. Bonds3

About acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine

acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine (PubChem CID 19095095) has the molecular formula C22H43N3O8 and a molecular weight of 477.60 g/mol. Its IUPAC name is acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine.

Molecular Properties

Compound Nameacetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
PubChem CID19095095
Molecular FormulaC22H43N3O8
Molecular Weight477.60 g/mol
Exact Mass477.31
IUPAC Nameacetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCNC1(c2ccccc2)CCCCC1.N.N
InChIInChI=1S/C14H21N.4C2H4O2.2H3N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;4*1-2(3)4;;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;4*1H3,(H,3,4);2*1H3
InChIKeyCKKFADKXVFSDHD-UHFFFAOYSA-N
XLogP4.14
TPSA231.23 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.60
LogP ≤ 54.14
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594
N-(1-phenylcyclohexyl)butanamide
CID 110478581
ethyl 2-[(1-phenylcyclohexyl)amino]acetate
CID 97355903
N-ethyl-8-phenyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 130201014
N-benzyl-1-phenylcyclohexan-1-amine
CID 76851721
ethyl N-(1-phenylcyclopentyl)carbamate
CID 110445044
ethyl 2-oxo-2-[(1-phenylcyclohexyl)amino]acetate
CID 110481846
N-(2-fluoroethyl)-1-phenylcyclohexan-1-amine
CID 175837141
N-(1-phenylcyclooctyl)hydroxylamine
CID 163440623
N-(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclohexan-1-amine;hydrochloride
CID 71315071
2-[4-(ethylamino)-4-phenylpiperidin-1-yl]phenol
CID 138724270
N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
CID 57461569

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine?
The IUPAC name of acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine (CID 19095095) is acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine.
What is the SMILES notation for acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine?
The canonical SMILES for acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCNC1(c2ccccc2)CCCCC1.N.N.
What is the InChIKey of acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine?
The InChIKey is CKKFADKXVFSDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.4C2H4O2.2H3N/c1-2-15-14(11-7-4-8-12-14)13-9-5-3-6-10-13;4*1-2(3)4;;/h3,5-6,9-10,15H,2,4,7-8,11-12H2,1H3;4*1H3,(H,3,4);2*1H3.
What are the key properties of acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine?
acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine has a molecular weight of 477.60 g/mol, XLogP of 4.14, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;N-ethyl-1-phenylcyclohexan-1-amine is sourced from PubChem (CID 19095095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).