7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide

C12H21N3O — CID 106384846

IUPAC7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C12H21N3O/c13-7-4-2-1-3-5-12(16)15-10-11-6-8-14-9-11/h6,8-9,14H,1-5,7,10,13H2,(H,15,16)
InChIKeyKGEFDTDZBSMXGU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.54
Rot. Bonds8

About 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide

7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide (PubChem CID 106384846) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
PubChem CID106384846
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide
SMILESNCCCCCCC(=O)NCc1cc[nH]c1
InChIInChI=1S/C12H21N3O/c13-7-4-2-1-3-5-12(16)15-10-11-6-8-14-9-11/h6,8-9,14H,1-5,7,10,13H2,(H,15,16)
InChIKeyKGEFDTDZBSMXGU-UHFFFAOYSA-N
XLogP1.54
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 106384569
7-amino-N-[(4-chlorophenyl)methyl]heptanamide
CID 28738770
4-phenoxy-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110794136
N-(1H-pyrrol-3-ylmethyl)pent-4-ynamide
CID 106385371
3-methoxy-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385639
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
N-(1H-pyrrol-3-ylmethyl)but-3-enamide
CID 106385805
7-amino-N-(thiophen-3-ylmethyl)heptanamide
CID 63246456
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
3-(propan-2-ylamino)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384947
7-amino-N-[[4-(dimethylamino)phenyl]methyl]heptanamide
CID 61250502
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide?
The IUPAC name of 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide (CID 106384846) is 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide.
What is the SMILES notation for 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide?
The canonical SMILES for 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide is NCCCCCCC(=O)NCc1cc[nH]c1.
What is the InChIKey of 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide?
The InChIKey is KGEFDTDZBSMXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-7-4-2-1-3-5-12(16)15-10-11-6-8-14-9-11/h6,8-9,14H,1-5,7,10,13H2,(H,15,16).
What are the key properties of 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide?
7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide has a molecular weight of 223.32 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1H-pyrrol-3-ylmethyl)heptanamide is sourced from PubChem (CID 106384846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).