N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine

C14H24N4 — CID 106568405

IUPACN-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine
SMILESC=CCn1ccnc1NC1CCN(CCC)CC1
InChIInChI=1S/C14H24N4/c1-3-8-17-10-5-13(6-11-17)16-14-15-7-12-18(14)9-4-2/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,15,16)
InChIKeyAPTCURZVIGNNKB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds6

About N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine

N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine (PubChem CID 106568405) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine
PubChem CID106568405
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine
SMILESC=CCn1ccnc1NC1CCN(CCC)CC1
InChIInChI=1S/C14H24N4/c1-3-8-17-10-5-13(6-11-17)16-14-15-7-12-18(14)9-4-2/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,15,16)
InChIKeyAPTCURZVIGNNKB-UHFFFAOYSA-N
XLogP2.36
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582117
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581825
N-cyclopropyl-1-[(1-ethylpiperidin-4-yl)methyl]imidazol-2-amine
CID 106566972
N-methyl-1-(1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106553425
N-cyclopropyl-1-(2-methylbutyl)imidazol-2-amine
CID 106570372
N-methyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568397
N-[1-(3-methoxypropyl)imidazol-2-yl]-1-methylpiperidin-4-amine
CID 106561587
N-cyclohexyl-1-(cyclohexylmethyl)imidazol-2-amine
CID 106561648
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
5-iodo-N-(1-propylpiperidin-4-yl)pyrimidin-2-amine
CID 113459447
N-(2-methyl-3-pyridinyl)-1-propylazepan-4-amine
CID 79041986

Frequently Asked Questions

What is the IUPAC name of N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine (CID 106568405) is N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine is C=CCn1ccnc1NC1CCN(CCC)CC1.
What is the InChIKey of N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine?
The InChIKey is APTCURZVIGNNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-8-17-10-5-13(6-11-17)16-14-15-7-12-18(14)9-4-2/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,15,16).
What are the key properties of N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine?
N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine has a molecular weight of 248.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 106568405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).