N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine

C12H25N3 — CID 174331578

IUPACN-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCC(CCC)CCNC1=NCCN1
InChIInChI=1S/C12H25N3/c1-3-5-11(6-4-2)7-8-13-12-14-9-10-15-12/h11H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyBPWDJEDJNPTZIH-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.14
Rot. Bonds7

About N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine

N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 174331578) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID174331578
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCC(CCC)CCNC1=NCCN1
InChIInChI=1S/C12H25N3/c1-3-5-11(6-4-2)7-8-13-12-14-9-10-15-12/h11H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyBPWDJEDJNPTZIH-UHFFFAOYSA-N
XLogP2.14
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine (CID 174331578) is N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine is CCCC(CCC)CCNC1=NCCN1.
What is the InChIKey of N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BPWDJEDJNPTZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-5-11(6-4-2)7-8-13-12-14-9-10-15-12/h11H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propylhexyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 174331578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).