1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide

C13H22N2O — CID 80599268

IUPAC1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC2CC3CCC2C3)CC1
InChIInChI=1S/C13H22N2O/c14-8-13(3-4-13)12(16)15-7-11-6-9-1-2-10(11)5-9/h9-11H,1-8,14H2,(H,15,16)
InChIKeyPRAOSPIYFIHGBG-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.28
Rot. Bonds4

About 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide

1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide (PubChem CID 80599268) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
PubChem CID80599268
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
SMILESNCC1(C(=O)NCC2CC3CCC2C3)CC1
InChIInChI=1S/C13H22N2O/c14-8-13(3-4-13)12(16)15-7-11-6-9-1-2-10(11)5-9/h9-11H,1-8,14H2,(H,15,16)
InChIKeyPRAOSPIYFIHGBG-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptane-1-carboxamide
CID 63684148
1-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methylcyclohexane-1-carboxamide
CID 64552555
1-[1-(aminomethyl)cyclopentyl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 116600831
2-bicyclo[2.2.1]heptanylmethylcarbamodithioic acid
CID 71388255
1-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-[4-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylcarbamoylamino]butyl]urea
CID 124546515
1-(aminomethyl)-N-[(2-methylcyclopropyl)methyl]cyclopentane-1-carboxamide
CID 115738374
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
CID 114290714
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114946070
1-(aminomethyl)-N-[(2-hydroxycyclohexyl)methyl]cyclobutane-1-carboxamide
CID 115448612
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide (CID 80599268) is 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide is NCC1(C(=O)NCC2CC3CCC2C3)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide?
The InChIKey is PRAOSPIYFIHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-13(3-4-13)12(16)15-7-11-6-9-1-2-10(11)5-9/h9-11H,1-8,14H2,(H,15,16).
What are the key properties of 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide?
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80599268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).