2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide

C14H26N2O — CID 114290714

IUPAC2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-3-14(2,9-15)13(17)16-8-12-7-10-4-5-11(12)6-10/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyZCCACLQFUGLVHF-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.91
Rot. Bonds5

About 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide

2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide (PubChem CID 114290714) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
PubChem CID114290714
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide
SMILESCCC(C)(CN)C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C14H26N2O/c1-3-14(2,9-15)13(17)16-8-12-7-10-4-5-11(12)6-10/h10-12H,3-9,15H2,1-2H3,(H,16,17)
InChIKeyZCCACLQFUGLVHF-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-1-(2-bicyclo[2.2.1]heptanyl)-3-methylpentan-2-one
CID 116610786
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-carbamothioyl-2-propylpentanamide
CID 63682321
1-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-ethylurea
CID 27276337
2-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylbutanoic acid
CID 78948127
4-(2-bicyclo[2.2.1]heptanylmethylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65299667
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-3-oxobutanamide
CID 98153784
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)cyclopropane-1-carboxamide
CID 80599268
2-(aminomethyl)-N-ethyl-2-methylbutanamide
CID 114290216
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031256
2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]-2-methylbutanamide
CID 114290613
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate
CID 62734672

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide (CID 114290714) is 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide is CCC(C)(CN)C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide?
The InChIKey is ZCCACLQFUGLVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-14(2,9-15)13(17)16-8-12-7-10-4-5-11(12)6-10/h10-12H,3-9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide?
2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide has a molecular weight of 238.37 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbutanamide is sourced from PubChem (CID 114290714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).