1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide

C15H28N2O2 — CID 115443799

IUPAC1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NC2CCCC(O)C2)CCCCCC1
InChIInChI=1S/C15H28N2O2/c16-11-15(8-3-1-2-4-9-15)14(19)17-12-6-5-7-13(18)10-12/h12-13,18H,1-11,16H2,(H,17,19)
InChIKeyDJTZLNZFXQTPJD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.71
Rot. Bonds3

About 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide

1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide (PubChem CID 115443799) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
PubChem CID115443799
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide
SMILESNCC1(C(=O)NC2CCCC(O)C2)CCCCCC1
InChIInChI=1S/C15H28N2O2/c16-11-15(8-3-1-2-4-9-15)14(19)17-12-6-5-7-13(18)10-12/h12-13,18H,1-11,16H2,(H,17,19)
InChIKeyDJTZLNZFXQTPJD-UHFFFAOYSA-N
XLogP1.71
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide
CID 114123111
1-(aminomethyl)-N-(3,5-dimethylcyclohexyl)cycloheptane-1-carboxamide
CID 64732102
1-(aminomethyl)-N-(3-methylcyclopentyl)cyclobutane-1-carboxamide
CID 114545052
3-ethyl-N-(3-hydroxycyclohexyl)pyrrolidine-3-carboxamide
CID 55166675
1-(aminomethyl)-N-(1,1-dioxothian-3-yl)cyclopentane-1-carboxamide
CID 63921726
N-(2-adamantyl)-1-(aminomethyl)cyclohexane-1-carboxamide
CID 115437394
1-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 115437435
1-(aminomethyl)-N-[2-(hydroxymethyl)cyclopentyl]cyclopentane-1-carboxamide
CID 103811415
1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide
CID 81487100
1-(aminomethyl)-N-(2,4-dimethylcyclohexyl)cyclohexane-1-carboxamide
CID 63996093
1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]cycloheptane-1-carboxamide
CID 106135703

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide (CID 115443799) is 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide is NCC1(C(=O)NC2CCCC(O)C2)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide?
The InChIKey is DJTZLNZFXQTPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c16-11-15(8-3-1-2-4-9-15)14(19)17-12-6-5-7-13(18)10-12/h12-13,18H,1-11,16H2,(H,17,19).
What are the key properties of 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide?
1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-hydroxycyclohexyl)cycloheptane-1-carboxamide is sourced from PubChem (CID 115443799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).