2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide

C15H31N3O — CID 55030660

IUPAC2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CN1CCC(CN)C1
InChIInChI=1S/C15H31N3O/c1-12(2)5-4-6-13(3)17-15(19)11-18-8-7-14(9-16)10-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyDVXKNJINCBZQMV-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds8

About 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide

2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide (PubChem CID 55030660) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
PubChem CID55030660
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
SMILESCC(C)CCCC(C)NC(=O)CN1CCC(CN)C1
InChIInChI=1S/C15H31N3O/c1-12(2)5-4-6-13(3)17-15(19)11-18-8-7-14(9-16)10-18/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyDVXKNJINCBZQMV-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 43556882
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 63248800
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide
CID 115969322
2-[3-(methylaminomethyl)pyrrolidin-1-yl]-N-(5-methylhexan-2-yl)acetamide
CID 55168100
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 62064127
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(1-phenylethyl)acetamide;hydrochloride
CID 119918090
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 114802649
N'-acetyl-2-[3-(aminomethyl)pyrrolidin-1-yl]acetohydrazide
CID 62062013
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683854
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119915902
N-heptan-2-yl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114681350
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
CID 63891241

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide (CID 55030660) is 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide is CC(C)CCCC(C)NC(=O)CN1CCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
The InChIKey is DVXKNJINCBZQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-12(2)5-4-6-13(3)17-15(19)11-18-8-7-14(9-16)10-18/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide?
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(6-methylheptan-2-yl)acetamide is sourced from PubChem (CID 55030660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).