1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine

C13H29N3 — CID 63532634

IUPAC1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCCCCCCN)C1
InChIInChI=1S/C13H29N3/c1-15(2)13-8-11-16(12-13)10-7-5-3-4-6-9-14/h13H,3-12,14H2,1-2H3
InChIKeyBVXSEBPYRYFFMM-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds8

About 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine

1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63532634) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID63532634
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(CCCCCCCN)C1
InChIInChI=1S/C13H29N3/c1-15(2)13-8-11-16(12-13)10-7-5-3-4-6-9-14/h13H,3-12,14H2,1-2H3
InChIKeyBVXSEBPYRYFFMM-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
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

1-(4-aminobutyl)-N,N-dimethylpyrrolidin-3-amine
CID 63166062
1-[5-(ethylamino)pentyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166700
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
7-(4-methylpiperidin-1-yl)heptan-1-amine
CID 28596817
7-[3-(methoxymethyl)pyrrolidin-1-yl]heptan-1-amine
CID 64599167
1-(4-aminobutyl)pyrrolidin-3-ol
CID 18550500
tert-butyl N-[1-(5-aminopentyl)piperidin-4-yl]-N-methylcarbamate
CID 165368889
1-[1-(5-aminopentyl)pyrrolidin-3-yl]ethanol
CID 112624715
ethyl 3-[3-(dimethylamino)pyrrolidin-1-yl]propanoate
CID 63164459
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
2-(cyclopropylamino)-5-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpentanamide
CID 63165814

Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine (CID 63532634) is 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(CCCCCCCN)C1.
What is the InChIKey of 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is BVXSEBPYRYFFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-15(2)13-8-11-16(12-13)10-7-5-3-4-6-9-14/h13H,3-12,14H2,1-2H3.
What are the key properties of 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine?
1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoheptyl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63532634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).