1,2-bis(4-aminocyclohexyl)ethyl acetate

C16H30N2O2 — CID 175320466

IUPAC1,2-bis(4-aminocyclohexyl)ethyl acetate
SMILESCC(=O)OC(CC1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C16H30N2O2/c1-11(19)20-16(13-4-8-15(18)9-5-13)10-12-2-6-14(17)7-3-12/h12-16H,2-10,17-18H2,1H3
InChIKeyPRSDNTBBPHCQAR-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.34
Rot. Bonds4

About 1,2-bis(4-aminocyclohexyl)ethyl acetate

1,2-bis(4-aminocyclohexyl)ethyl acetate (PubChem CID 175320466) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,2-bis(4-aminocyclohexyl)ethyl acetate.

Molecular Properties

Compound Name1,2-bis(4-aminocyclohexyl)ethyl acetate
PubChem CID175320466
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1,2-bis(4-aminocyclohexyl)ethyl acetate
SMILESCC(=O)OC(CC1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C16H30N2O2/c1-11(19)20-16(13-4-8-15(18)9-5-13)10-12-2-6-14(17)7-3-12/h12-16H,2-10,17-18H2,1H3
InChIKeyPRSDNTBBPHCQAR-UHFFFAOYSA-N
XLogP2.34
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexylbut-3-enyl acetate
CID 11481011
1-[4-(acetamidomethyl)cyclohexyl]ethyl acetate
CID 174642719
[(2S)-1-cyclododecylpropan-2-yl] acetate
CID 7452366
ethyl (4R)-4-acetyloxy-4-cyclopentylbutanoate
CID 58212173
cyclohexane-1,4-diamine;platinum(4+);diacetate;dichloride
CID 10051603
cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate
CID 157339614
cyclopropylmethyl acetate
CID 538333
2-(4-aminocyclohexyl)-2-methoxyacetamide
CID 91129607
1-(4-aminocyclohexyl)-2-(ethylamino)-4-methylpentan-3-one;ethane
CID 177156080
ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate
CID 139791795
4-(2,2-difluoroethyl)cyclohexan-1-amine
CID 84716905
methyl 2-amino-3-cyclopropylpropanoate;hydrochloride
CID 66593108

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-aminocyclohexyl)ethyl acetate?
The IUPAC name of 1,2-bis(4-aminocyclohexyl)ethyl acetate (CID 175320466) is 1,2-bis(4-aminocyclohexyl)ethyl acetate.
What is the SMILES notation for 1,2-bis(4-aminocyclohexyl)ethyl acetate?
The canonical SMILES for 1,2-bis(4-aminocyclohexyl)ethyl acetate is CC(=O)OC(CC1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of 1,2-bis(4-aminocyclohexyl)ethyl acetate?
The InChIKey is PRSDNTBBPHCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(19)20-16(13-4-8-15(18)9-5-13)10-12-2-6-14(17)7-3-12/h12-16H,2-10,17-18H2,1H3.
What are the key properties of 1,2-bis(4-aminocyclohexyl)ethyl acetate?
1,2-bis(4-aminocyclohexyl)ethyl acetate has a molecular weight of 282.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-aminocyclohexyl)ethyl acetate is sourced from PubChem (CID 175320466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).