(3S)-1-heptylpyrrolidin-3-amine

C11H24N2 — CID 81491543

IUPAC(3S)-1-heptylpyrrolidin-3-amine
SMILESCCCCCCCN1CC[C@H](N)C1
InChIInChI=1S/C11H24N2/c1-2-3-4-5-6-8-13-9-7-11(12)10-13/h11H,2-10,12H2,1H3/t11-/m0/s1
InChIKeyYBDNOKPGMFWHMM-NSHDSACASA-N
MW184.33 g/mol
LogP1.99
Rot. Bonds6

About (3S)-1-heptylpyrrolidin-3-amine

(3S)-1-heptylpyrrolidin-3-amine (PubChem CID 81491543) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (3S)-1-heptylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-heptylpyrrolidin-3-amine
PubChem CID81491543
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(3S)-1-heptylpyrrolidin-3-amine
SMILESCCCCCCCN1CC[C@H](N)C1
InChIInChI=1S/C11H24N2/c1-2-3-4-5-6-8-13-9-7-11(12)10-13/h11H,2-10,12H2,1H3/t11-/m0/s1
InChIKeyYBDNOKPGMFWHMM-NSHDSACASA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
ethane;1-pentylpiperidin-4-amine
CID 142516102
1-(1-octylpyrrolidin-3-yl)piperidin-4-amine
CID 80553977
3-butyl-1-hexylpyrrolidine
CID 171570679
1-octyl-3-propylpyrrolidine;hydrochloride
CID 175874915
3-butyl-1-dodecylpyrrolidine;hydrofluoride
CID 175874831
4-fluoro-1-octylpiperidine
CID 130358850
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
(3S)-1-hept-6-enylpyrrolidin-3-amine
CID 107008063
1-(1-nonylpyrrolidin-3-yl)ethanamine
CID 113360760
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115

Frequently Asked Questions

What is the IUPAC name of (3S)-1-heptylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-heptylpyrrolidin-3-amine (CID 81491543) is (3S)-1-heptylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-heptylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-heptylpyrrolidin-3-amine is CCCCCCCN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-heptylpyrrolidin-3-amine?
The InChIKey is YBDNOKPGMFWHMM-NSHDSACASA-N. The full InChI is InChI=1S/C11H24N2/c1-2-3-4-5-6-8-13-9-7-11(12)10-13/h11H,2-10,12H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-1-heptylpyrrolidin-3-amine?
(3S)-1-heptylpyrrolidin-3-amine has a molecular weight of 184.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-heptylpyrrolidin-3-amine is sourced from PubChem (CID 81491543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).