4-(2-aminoethyl)-1-cyclohexylheptan-1-one

C15H29NO — CID 116582773

IUPAC4-(2-aminoethyl)-1-cyclohexylheptan-1-one
SMILESCCCC(CCN)CCC(=O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-2-6-13(11-12-16)9-10-15(17)14-7-4-3-5-8-14/h13-14H,2-12,16H2,1H3
InChIKeyRLXKSPOWYOQQGS-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.68
Rot. Bonds8

About 4-(2-aminoethyl)-1-cyclohexylheptan-1-one

4-(2-aminoethyl)-1-cyclohexylheptan-1-one (PubChem CID 116582773) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1-cyclohexylheptan-1-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1-cyclohexylheptan-1-one
PubChem CID116582773
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-(2-aminoethyl)-1-cyclohexylheptan-1-one
SMILESCCCC(CCN)CCC(=O)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-2-6-13(11-12-16)9-10-15(17)14-7-4-3-5-8-14/h13-14H,2-12,16H2,1H3
InChIKeyRLXKSPOWYOQQGS-UHFFFAOYSA-N
XLogP3.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-1-cycloheptyl-4-ethylhexan-1-one
CID 116578325
6-amino-1-cyclopropyl-4-ethylhexan-1-one
CID 116578317
cyclopentylmethyl 4-(2-aminoethyl)heptanoate
CID 66323726
N-[2-(2-aminoethyl)pentyl]cyclopentanecarboxamide
CID 106116208
1-cycloheptylbutan-1-one
CID 54353743
4-(2-aminoethyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)heptan-1-one
CID 66371217
3-amino-1-cyclohexylhexan-1-one
CID 116607761
1-cycloheptylpentan-1-one
CID 65399298
2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
CID 114157607
4-(2-aminoethyl)-1-[(3S)-3-hydroxypiperidin-1-yl]heptan-1-one
CID 107222910
1-cyclohexyldecan-1-one
CID 63409715
3-amino-1-cyclopentylhexan-1-one
CID 116607728

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1-cyclohexylheptan-1-one?
The IUPAC name of 4-(2-aminoethyl)-1-cyclohexylheptan-1-one (CID 116582773) is 4-(2-aminoethyl)-1-cyclohexylheptan-1-one.
What is the SMILES notation for 4-(2-aminoethyl)-1-cyclohexylheptan-1-one?
The canonical SMILES for 4-(2-aminoethyl)-1-cyclohexylheptan-1-one is CCCC(CCN)CCC(=O)C1CCCCC1.
What is the InChIKey of 4-(2-aminoethyl)-1-cyclohexylheptan-1-one?
The InChIKey is RLXKSPOWYOQQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-6-13(11-12-16)9-10-15(17)14-7-4-3-5-8-14/h13-14H,2-12,16H2,1H3.
What are the key properties of 4-(2-aminoethyl)-1-cyclohexylheptan-1-one?
4-(2-aminoethyl)-1-cyclohexylheptan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1-cyclohexylheptan-1-one is sourced from PubChem (CID 116582773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).