N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide

C15H27N3O — CID 115317425

IUPACN-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H27N3O/c1-5-9-18-10-6-7-14(18)15(19)17(4)11-8-13(16)12(2)3/h6-7,10,12-13H,5,8-9,11,16H2,1-4H3
InChIKeyRIGDOOKFRBHCRS-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.34
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 115317425) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID115317425
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C15H27N3O/c1-5-9-18-10-6-7-14(18)15(19)17(4)11-8-13(16)12(2)3/h6-7,10,12-13H,5,8-9,11,16H2,1-4H3
InChIKeyRIGDOOKFRBHCRS-UHFFFAOYSA-N
XLogP2.34
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyl-1-propylpyrrole-2-carboxamide
CID 104553472
1-ethyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60961930
N-[(4-hydroxyphenyl)methyl]-N-methyl-1-propylpyrrole-2-carboxamide
CID 61044229
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
N-(3-amino-4-methylpentyl)-4-chloro-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 115317428
N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
CID 119658345
N-(3-amino-4-methylpentyl)-N-methyl-2-methylsulfanylbenzamide;hydrochloride
CID 119658400

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide (CID 115317425) is N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is RIGDOOKFRBHCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-9-18-10-6-7-14(18)15(19)17(4)11-8-13(16)12(2)3/h6-7,10,12-13H,5,8-9,11,16H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 115317425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).