N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine

C12H19N — CID 130608680

IUPACN-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2CNC1CCC1
InChIInChI=1S/C12H19N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-13H,1-3,6-8H2/t9-,10+,11-/m0/s1
InChIKeySNYKHIHBPSNIEH-AXFHLTTASA-N
MW177.29 g/mol
LogP2.34
Rot. Bonds3

About N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine

N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine (PubChem CID 130608680) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
PubChem CID130608680
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
SMILESC1=C[C@@H]2C[C@H]1C[C@H]2CNC1CCC1
InChIInChI=1S/C12H19N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-13H,1-3,6-8H2/t9-,10+,11-/m0/s1
InChIKeySNYKHIHBPSNIEH-AXFHLTTASA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43791725
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylpiperidin-4-amine
CID 124527653
cis-(1S,3R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 98220516
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methylsulfonylcyclohexan-1-amine
CID 75425268
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-methylcyclobutan-1-amine
CID 130666268
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-tert-butylpiperidin-4-amine
CID 54866698
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-ethoxycyclobutan-1-amine
CID 102610282
1-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]-N-chloromethanamine
CID 58543795
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-(2-methylsulfonylethyl)piperidin-4-amine
CID 98220464
tert-butyl 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)piperidine-1-carboxylate
CID 103745434
1-[4-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]piperidin-1-yl]-3-methoxypropan-1-one
CID 98233747
N-[[(2R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]acetamide
CID 130645148

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine?
The IUPAC name of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine (CID 130608680) is N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine?
The canonical SMILES for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine is C1=C[C@@H]2C[C@H]1C[C@H]2CNC1CCC1.
What is the InChIKey of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine?
The InChIKey is SNYKHIHBPSNIEH-AXFHLTTASA-N. The full InChI is InChI=1S/C12H19N/c1-2-12(3-1)13-8-11-7-9-4-5-10(11)6-9/h4-5,9-13H,1-3,6-8H2/t9-,10+,11-/m0/s1.
What are the key properties of N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine?
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine has a molecular weight of 177.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine is sourced from PubChem (CID 130608680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).