4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide

C17H34N2O2 — CID 106135446

IUPAC4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C17H34N2O2/c1-17(2,3)14(10-11-18)6-9-16(21)19-12-13-4-7-15(20)8-5-13/h13-15,20H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyPBWYKHJQSKYHKS-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.44
Rot. Bonds7

About 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide

4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide (PubChem CID 106135446) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
PubChem CID106135446
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide
SMILESCC(C)(C)C(CCN)CCC(=O)NCC1CCC(O)CC1
InChIInChI=1S/C17H34N2O2/c1-17(2,3)14(10-11-18)6-9-16(21)19-12-13-4-7-15(20)8-5-13/h13-15,20H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyPBWYKHJQSKYHKS-UHFFFAOYSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-[(4-hydroxycyclohexyl)methyl]hexanamide
CID 106135658
3-(tert-butylamino)-N-[(4-hydroxycyclohexyl)methyl]propanamide
CID 106135794
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylpentanamide
CID 114231575
6-amino-N-[(3-hydroxycyclobutyl)methyl]-4-methylhexanamide
CID 66005084
3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide
CID 119337806
4-(2-aminoethyl)-5,5-dimethyl-N-(5-methylhexyl)hexanamide
CID 115325284
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
3-amino-N-[(4-tert-butylcyclohexyl)methyl]propanamide;hydrochloride
CID 119337805
N-[(4-hydroxycyclohexyl)methyl]-3-sulfanylpropanamide
CID 106137800
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256
N-[(4-bromocyclohexyl)methyl]-4-methylpentanamide
CID 106134835

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide (CID 106135446) is 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide is CC(C)(C)C(CCN)CCC(=O)NCC1CCC(O)CC1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide?
The InChIKey is PBWYKHJQSKYHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-17(2,3)14(10-11-18)6-9-16(21)19-12-13-4-7-15(20)8-5-13/h13-15,20H,4-12,18H2,1-3H3,(H,19,21).
What are the key properties of 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide?
4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide has a molecular weight of 298.47 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(4-hydroxycyclohexyl)methyl]-5,5-dimethylhexanamide is sourced from PubChem (CID 106135446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).