7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide

C15H31N3O — CID 62060956

IUPAC7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
SMILESCC(CNC(=O)CCCCCCN)CN1CCCC1
InChIInChI=1S/C15H31N3O/c1-14(13-18-10-6-7-11-18)12-17-15(19)8-4-2-3-5-9-16/h14H,2-13,16H2,1H3,(H,17,19)
InChIKeyHXJKVBSCQGGQPB-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds10

About 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide

7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide (PubChem CID 62060956) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
PubChem CID62060956
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
SMILESCC(CNC(=O)CCCCCCN)CN1CCCC1
InChIInChI=1S/C15H31N3O/c1-14(13-18-10-6-7-11-18)12-17-15(19)8-4-2-3-5-9-16/h14H,2-13,16H2,1H3,(H,17,19)
InChIKeyHXJKVBSCQGGQPB-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
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-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
7-amino-N-(2-methylbutyl)heptanamide
CID 62693522
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 79474135
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
N-(2-methylpropyl)-6-piperidin-1-ylhexanamide
CID 57093766
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-(prop-2-enylamino)acetamide
CID 79278573

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide?
The IUPAC name of 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide (CID 62060956) is 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide is CC(CNC(=O)CCCCCCN)CN1CCCC1.
What is the InChIKey of 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide?
The InChIKey is HXJKVBSCQGGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(13-18-10-6-7-11-18)12-17-15(19)8-4-2-3-5-9-16/h14H,2-13,16H2,1H3,(H,17,19).
What are the key properties of 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide?
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide is sourced from PubChem (CID 62060956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).