1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide

C15H30N2O2 — CID 107152969

IUPAC1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1(CN)CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(2)9-13(18)10-17-14(19)15(11-16)7-5-3-4-6-8-15/h12-13,18H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyROYONICJTQDIOC-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.81
Rot. Bonds6

About 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide (PubChem CID 107152969) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
PubChem CID107152969
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1(CN)CCCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(2)9-13(18)10-17-14(19)15(11-16)7-5-3-4-6-8-15/h12-13,18H,3-11,16H2,1-2H3,(H,17,19)
InChIKeyROYONICJTQDIOC-UHFFFAOYSA-N
XLogP1.81
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]cycloheptanecarboxamide
CID 96496535
2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
CID 103809687
2-amino-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
CID 103810624
1-(aminomethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
CID 105646072
1-(aminomethyl)-N-(3,3-difluoro-2-hydroxypropyl)cycloheptane-1-carboxamide
CID 105646358
2-Ethyl-3-(2-hydroxyhexylamino)octanamide
CID 20563136
N-(2-hydroxyethyl)cycloheptanecarboxamide
CID 62590364
N-(2-hydroxy-4,4-dimethylpentyl)octanamide
CID 103676165
N-(3-aminopropyl)-N'-(2-hydroxypropyl)-2,3,3,4,4,5-hexamethyl-2,5-bis[2-(methylamino)propan-2-yl]hexanediamide
CID 123409400
2-N-(3-aminopropyl)-5-N-(2-hydroxypropyl)-2,2,3,4,4,5,5,6,7,7,8,8,9,10,10-pentadecamethyl-8-N-[3-(3-methylpentanoylamino)propyl]undecane-2,5,8-tricarboxamide
CID 123529398
N-ethyl-N'-(2-hydroxypropyl)-2,4-dimethyl-4-(2-methylpropyl)-2-propan-2-ylpentanediamide
CID 129224751
N-(2-hydroxyethyl)-2-methyl-2-pentylheptanamide
CID 135208411

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide (CID 107152969) is 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide is CC(C)CC(O)CNC(=O)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
The InChIKey is ROYONICJTQDIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)9-13(18)10-17-14(19)15(11-16)7-5-3-4-6-8-15/h12-13,18H,3-11,16H2,1-2H3,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide has a molecular weight of 270.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 107152969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).