(3S)-1-hept-6-enylpyrrolidin-3-amine

C11H22N2 — CID 107008063

IUPAC(3S)-1-hept-6-enylpyrrolidin-3-amine
SMILESC=CCCCCCN1CC[C@H](N)C1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-8-13-9-7-11(12)10-13/h2,11H,1,3-10,12H2/t11-/m0/s1
InChIKeyXSUWZCDGINGYBM-NSHDSACASA-N
MW182.31 g/mol
LogP1.77
Rot. Bonds6

About (3S)-1-hept-6-enylpyrrolidin-3-amine

(3S)-1-hept-6-enylpyrrolidin-3-amine (PubChem CID 107008063) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (3S)-1-hept-6-enylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-hept-6-enylpyrrolidin-3-amine
PubChem CID107008063
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(3S)-1-hept-6-enylpyrrolidin-3-amine
SMILESC=CCCCCCN1CC[C@H](N)C1
InChIInChI=1S/C11H22N2/c1-2-3-4-5-6-8-13-9-7-11(12)10-13/h2,11H,1,3-10,12H2/t11-/m0/s1
InChIKeyXSUWZCDGINGYBM-NSHDSACASA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-pent-4-enylpyrrolidin-3-amine
CID 81491802
1-(1-hept-6-enylpyrrolidin-3-yl)piperidin-4-amine
CID 107008057
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
(3R)-1-but-3-enylpiperidin-3-amine
CID 102977540
3-ethyl-1-hept-6-enylpiperidin-4-ol
CID 107011021
3-(3-aminopyrrolidin-1-yl)propane-1-thiol
CID 84651115
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
1-hept-6-enylpiperidine
CID 143080853
3-fluoro-1-pent-4-enylpiperidine
CID 163239212
4-[(3S)-3-aminopyrrolidin-1-yl]butanenitrile
CID 94340658

Frequently Asked Questions

What is the IUPAC name of (3S)-1-hept-6-enylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-hept-6-enylpyrrolidin-3-amine (CID 107008063) is (3S)-1-hept-6-enylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-hept-6-enylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-hept-6-enylpyrrolidin-3-amine is C=CCCCCCN1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-hept-6-enylpyrrolidin-3-amine?
The InChIKey is XSUWZCDGINGYBM-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N2/c1-2-3-4-5-6-8-13-9-7-11(12)10-13/h2,11H,1,3-10,12H2/t11-/m0/s1.
What are the key properties of (3S)-1-hept-6-enylpyrrolidin-3-amine?
(3S)-1-hept-6-enylpyrrolidin-3-amine has a molecular weight of 182.31 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hept-6-enylpyrrolidin-3-amine is sourced from PubChem (CID 107008063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).