N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C13H21N3 — CID 122097285

IUPACN-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCCC2C[C@@H]3C=C[C@H]2C3)N1
InChIInChI=1S/C13H21N3/c1-9-8-15-13(16-9)14-5-4-12-7-10-2-3-11(12)6-10/h2-3,9-12H,4-8H2,1H3,(H2,14,15,16)/t9?,10-,11+,12?/m1/s1
InChIKeyKRKDOPRECAXUTE-UPOSSJBDSA-N
MW219.33 g/mol
LogP1.53
Rot. Bonds3

About N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 122097285) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID122097285
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(NCCC2C[C@@H]3C=C[C@H]2C3)N1
InChIInChI=1S/C13H21N3/c1-9-8-15-13(16-9)14-5-4-12-7-10-2-3-11(12)6-10/h2-3,9-12H,4-8H2,1H3,(H2,14,15,16)/t9?,10-,11+,12?/m1/s1
InChIKeyKRKDOPRECAXUTE-UPOSSJBDSA-N
XLogP1.53
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)ethane-1,2-diamine
CID 55290949
5-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]bicyclo[2.2.1]hept-2-ene
CID 160903518
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
5-methyl-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 126979390
2-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-trimethoxysilane
CID 124630606
N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]methanesulfonamide
CID 70802209
4-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]butanenitrile;hydroiodide
CID 130714983
6-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethylamino]pyrimidine-4-carbonitrile
CID 167867833
2-methyl-N-[2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]ethyl]propanamide
CID 120969175
(1R,4R)-5-butylbicyclo[2.2.1]hept-2-ene
CID 55250323
N-[2-(cyclopropylmethylsulfonyl)ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120971702
2-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethyl-triethoxysilane
CID 124925724

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 122097285) is N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(NCCC2C[C@@H]3C=C[C@H]2C3)N1.
What is the InChIKey of N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KRKDOPRECAXUTE-UPOSSJBDSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-8-15-13(16-9)14-5-4-12-7-10-2-3-11(12)6-10/h2-3,9-12H,4-8H2,1H3,(H2,14,15,16)/t9?,10-,11+,12?/m1/s1.
What are the key properties of N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 219.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 122097285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).