7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide

C14H29N3O — CID 63207884

IUPAC7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
SMILESCN(CCN1CCCC1)C(=O)CCCCCCN
InChIInChI=1S/C14H29N3O/c1-16(12-13-17-10-6-7-11-17)14(18)8-4-2-3-5-9-15/h2-13,15H2,1H3
InChIKeyBGJPCMXJJSTGAQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.45
Rot. Bonds9

About 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide

7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide (PubChem CID 63207884) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
PubChem CID63207884
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide
SMILESCN(CCN1CCCC1)C(=O)CCCCCCN
InChIInChI=1S/C14H29N3O/c1-16(12-13-17-10-6-7-11-17)14(18)8-4-2-3-5-9-15/h2-13,15H2,1H3
InChIKeyBGJPCMXJJSTGAQ-UHFFFAOYSA-N
XLogP1.45
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63207232
6-[methyl(2-pyrrolidin-1-ylethyl)amino]-6-oxohexanoic acid
CID 63207758
5-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)hexanamide
CID 82851299
N-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 63239691
N-methyl-N-[6-[methyl(3-piperidin-1-ylpropanoyl)amino]hexyl]-3-piperidin-1-ylpropanamide
CID 10477358
N-(3-aminopropyl)-3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylpropanamide
CID 62884866
N-(3-aminopropyl)-2-(azepan-1-yl)-N-methylacetamide
CID 43253394
4-[6-aminohexanoyl(methyl)amino]butanoic acid
CID 61160590
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
The IUPAC name of 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide (CID 63207884) is 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide.
What is the SMILES notation for 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
The canonical SMILES for 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide is CN(CCN1CCCC1)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
The InChIKey is BGJPCMXJJSTGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-16(12-13-17-10-6-7-11-17)14(18)8-4-2-3-5-9-15/h2-13,15H2,1H3.
What are the key properties of 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide?
7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide has a molecular weight of 255.41 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)heptanamide is sourced from PubChem (CID 63207884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).