4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine

C14H26N2 — CID 114475823

IUPAC4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2/c1-10(2)4-7-14(15)11-8-12-5-6-13(9-11)16(12)3/h11-14H,1,4-9,15H2,2-3H3
InChIKeyKFGRWORSFJKCKG-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.54
Rot. Bonds4

About 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine

4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine (PubChem CID 114475823) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine
PubChem CID114475823
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine
SMILESC=C(C)CCC(N)C1CC2CCC(C1)N2C
InChIInChI=1S/C14H26N2/c1-10(2)4-7-14(15)11-8-12-5-6-13(9-11)16(12)3/h11-14H,1,4-9,15H2,2-3H3
InChIKeyKFGRWORSFJKCKG-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.54
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

4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-ol
CID 114474025
1-(3-bicyclo[3.1.0]hexanyl)-4-methylpent-4-en-1-amine
CID 105039579
(1S)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 104932359
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 112680991
2-amino-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83906870
5-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
CID 112680959
4-methyl-1-(oxan-4-yl)pent-4-en-1-amine
CID 114474933
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylsulfonylpropan-1-amine
CID 112681047
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-yn-1-amine
CID 112681095
(1R)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 104932140
4-methyl-1-(2-methylcyclopentyl)pent-4-en-1-amine
CID 107190922
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
CID 116940794

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine?
The IUPAC name of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine (CID 114475823) is 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine.
What is the SMILES notation for 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine?
The canonical SMILES for 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine is C=C(C)CCC(N)C1CC2CCC(C1)N2C.
What is the InChIKey of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine?
The InChIKey is KFGRWORSFJKCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-10(2)4-7-14(15)11-8-12-5-6-13(9-11)16(12)3/h11-14H,1,4-9,15H2,2-3H3.
What are the key properties of 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine?
4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine has a molecular weight of 222.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pent-4-en-1-amine is sourced from PubChem (CID 114475823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).