N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine

C13H21N — CID 114615642

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)C1CC2C=CC1C2
InChIInChI=1S/C13H21N/c1-9(2)8-14-10(3)13-7-11-4-5-12(13)6-11/h4-5,10-14H,1,6-8H2,2-3H3
InChIKeyQDNHZTFUPDWBMR-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.75
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 114615642) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID114615642
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNC(C)C1CC2C=CC1C2
InChIInChI=1S/C13H21N/c1-9(2)8-14-10(3)13-7-11-4-5-12(13)6-11/h4-5,10-14H,1,6-8H2,2-3H3
InChIKeyQDNHZTFUPDWBMR-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.75
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

2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-cyclopropylacetamide
CID 43777968
tert-butyl 2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetate
CID 81462502
3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanamide
CID 43777460
1-[[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]methyl]cyclopentan-1-ol
CID 65107627
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
N-benzyl-2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]acetamide
CID 60972445
1-N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767794
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
1-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106145431

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine (CID 114615642) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNC(C)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is QDNHZTFUPDWBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)8-14-10(3)13-7-11-4-5-12(13)6-11/h4-5,10-14H,1,6-8H2,2-3H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 191.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114615642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).