9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H30N2 — CID 113466133

IUPAC9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC/C=C/CCN1C2CCCC1CC(NCCC)C2
InChIInChI=1S/C16H30N2/c1-3-5-6-11-18-15-8-7-9-16(18)13-14(12-15)17-10-4-2/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyNLYXKQFRZIPNOZ-HWKANZROSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds6

About 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 113466133) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID113466133
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC/C=C/CCN1C2CCCC1CC(NCCC)C2
InChIInChI=1S/C16H30N2/c1-3-5-6-11-18-15-8-7-9-16(18)13-14(12-15)17-10-4-2/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+
InChIKeyNLYXKQFRZIPNOZ-HWKANZROSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fire ant venom
CID 5478029
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3,6-dihydro-2H-indigine-1-carboxamide
CID 140365425
(13Z,16Z)-N-[(1-methylpiperazin-2-yl)methyl]docosa-13,16-dien-4-amine
CID 145564527
ethane;N-ethyl-N-(2-piperidin-2-ylethyl)pent-3-en-1-amine;molecular hydrogen
CID 172335355
N-[2-(1-cyclohexen-1-yl)ethyl]-1-propyl-4-piperidinamine
CID 2846681
2-(Cyclohexen-1-yl)ethyl-(1-propylpiperidin-1-ium-4-yl)azanium
CID 7446099
N-[2-(cyclohexen-1-yl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28620744
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 60692146
N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712213
N-ethyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712214
9-prop-2-enyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712215
9-(cyclohex-3-en-1-ylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714370

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 113466133) is 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is C/C=C/CCN1C2CCCC1CC(NCCC)C2.
What is the InChIKey of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NLYXKQFRZIPNOZ-HWKANZROSA-N. The full InChI is InChI=1S/C16H30N2/c1-3-5-6-11-18-15-8-7-9-16(18)13-14(12-15)17-10-4-2/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 250.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 113466133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).