N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide

C12H21N3O — CID 119668324

IUPACN-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc[nH]c1C
InChIInChI=1S/C12H21N3O/c1-3-4-5-10(8-13)15-12(16)11-6-7-14-9(11)2/h6-7,10,14H,3-5,8,13H2,1-2H3,(H,15,16)
InChIKeyCEIKQCLDZCOPOA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.57
Rot. Bonds6

About N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide

N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 119668324) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID119668324
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1cc[nH]c1C
InChIInChI=1S/C12H21N3O/c1-3-4-5-10(8-13)15-12(16)11-6-7-14-9(11)2/h6-7,10,14H,3-5,8,13H2,1-2H3,(H,15,16)
InChIKeyCEIKQCLDZCOPOA-UHFFFAOYSA-N
XLogP1.57
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminohexan-2-yl)-1H-pyrrole-2-carboxamide
CID 80697811
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-(1-aminohexan-2-yl)-2-ethylsulfonylbenzamide;hydrochloride
CID 119667537
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
CID 80697182
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-3,5-dimethylbenzamide
CID 80697654
N-(1-aminohexan-2-yl)-2-chloro-5-methylsulfanylbenzamide;hydrochloride
CID 119667367
N-(1-aminohexan-2-yl)-3-methylthiophene-2-carboxamide
CID 80697346
N-(1-aminohexan-2-yl)-2-benzylbenzamide
CID 119666866

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide (CID 119668324) is N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide is CCCCC(CN)NC(=O)c1cc[nH]c1C.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is CEIKQCLDZCOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-10(8-13)15-12(16)11-6-7-14-9(11)2/h6-7,10,14H,3-5,8,13H2,1-2H3,(H,15,16).
What are the key properties of N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide?
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 119668324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).