N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide

C14H20N2O — CID 16775689

IUPACN-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
SMILESNCc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10,15H2,(H,16,17)
InChIKeyMKYNCAAYDVZDQW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.66
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide

N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide (PubChem CID 16775689) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
PubChem CID16775689
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
SMILESNCc1ccc(NC(=O)C2CCCCC2)cc1
InChIInChI=1S/C14H20N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10,15H2,(H,16,17)
InChIKeyMKYNCAAYDVZDQW-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(bromomethyl)phenyl]cycloheptanecarboxamide
CID 113274667
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257
N-[4-(methylaminomethyl)phenyl]cycloheptanecarboxamide
CID 106909905
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
N-[4-(hydroxymethyl)phenyl]cyclobutanecarboxamide
CID 64792635
N-(4-hydroxyphenyl)cycloheptanecarboxamide
CID 62589451
N-(4-bromophenyl)cyclohexanecarboxamide
CID 531820
N-[4-(aminomethyl)phenyl]oxane-2-carboxamide
CID 62214191
2-[[2-[4-(cyclohexanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 119224306
2-[[2-[4-(cyclooctanecarbonylamino)phenyl]acetyl]amino]acetic acid
CID 120523438
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide (CID 16775689) is N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide is NCc1ccc(NC(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide?
The InChIKey is MKYNCAAYDVZDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-11-6-8-13(9-7-11)16-14(17)12-4-2-1-3-5-12/h6-9,12H,1-5,10,15H2,(H,16,17).
What are the key properties of N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide?
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 16775689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).