N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine

C15H27N — CID 43223044

IUPACN-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine
SMILESCCCCCCC(C)NC1CC2CC=CC21
InChIInChI=1S/C15H27N/c1-3-4-5-6-8-12(2)16-15-11-13-9-7-10-14(13)15/h7,10,12-16H,3-6,8-9,11H2,1-2H3
InChIKeyWOPFVSHKQXVDSJ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds7

About N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine

N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 43223044) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine
PubChem CID43223044
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine
SMILESCCCCCCC(C)NC1CC2CC=CC21
InChIInChI=1S/C15H27N/c1-3-4-5-6-8-12(2)16-15-11-13-9-7-10-14(13)15/h7,10,12-16H,3-6,8-9,11H2,1-2H3
InChIKeyWOPFVSHKQXVDSJ-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N-heptan-2-ylbicyclo[2.2.1]heptan-2-amine
CID 61309535
2-(6-bicyclo[3.2.0]hept-3-enylamino)-N,N-diethylpropanamide
CID 43789787
N-octan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103561562
2,4-dimethyl-N-octan-2-ylcyclohexan-1-amine
CID 63994075
N-[(1S)-1-cycloheptylethyl]bicyclo[3.2.0]hept-3-en-6-amine
CID 81388211
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
[(1R,4S)-4-(heptan-2-ylamino)cyclopent-2-en-1-yl]methanol
CID 103874739
N-(2-methylcyclopropyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 62398101
(3R,4S)-4-fluoro-N-heptan-2-yloxolan-3-amine
CID 126847898
N-(cyclopropylmethyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43756772
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945

Frequently Asked Questions

What is the IUPAC name of N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine (CID 43223044) is N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine is CCCCCCC(C)NC1CC2CC=CC21.
What is the InChIKey of N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is WOPFVSHKQXVDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-4-5-6-8-12(2)16-15-11-13-9-7-10-14(13)15/h7,10,12-16H,3-6,8-9,11H2,1-2H3.
What are the key properties of N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine?
N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-ylbicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 43223044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).