N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine

C13H21N3 — CID 66129398

IUPACN-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
SMILESCCCn1cncc1CNC1CC=CCC1
InChIInChI=1S/C13H21N3/c1-2-8-16-11-14-9-13(16)10-15-12-6-4-3-5-7-12/h3-4,9,11-12,15H,2,5-8,10H2,1H3
InChIKeyWAROVOIJHYOONE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.49
Rot. Bonds5

About N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine

N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine (PubChem CID 66129398) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
PubChem CID66129398
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
SMILESCCCn1cncc1CNC1CC=CCC1
InChIInChI=1S/C13H21N3/c1-2-8-16-11-14-9-13(16)10-15-12-6-4-3-5-7-12/h3-4,9,11-12,15H,2,5-8,10H2,1H3
InChIKeyWAROVOIJHYOONE-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
2,2,6,6-tetramethyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134567
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 66130357
2-methyl-N-[(3-propylimidazol-4-yl)methyl]cycloheptan-1-amine
CID 66129396
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
1-butyl-N-[(3-ethylimidazol-4-yl)methyl]piperidin-4-amine
CID 66133818
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603

Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine (CID 66129398) is N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine is CCCn1cncc1CNC1CC=CCC1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine?
The InChIKey is WAROVOIJHYOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-8-16-11-14-9-13(16)10-15-12-6-4-3-5-7-12/h3-4,9,11-12,15H,2,5-8,10H2,1H3.
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine?
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine is sourced from PubChem (CID 66129398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).