1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine

C18H37N3 — CID 170311743

IUPAC1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCC(C)(CCCCCC)N1CCN=C1N
InChIInChI=1S/C18H37N3/c1-4-6-8-10-12-14-18(3,13-11-9-7-5-2)21-16-15-20-17(21)19/h4-16H2,1-3H3,(H2,19,20)
InChIKeyWZGJNPWXJCEFSW-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.71
Rot. Bonds12

About 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine

1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 170311743) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine
PubChem CID170311743
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCC(C)(CCCCCC)N1CCN=C1N
InChIInChI=1S/C18H37N3/c1-4-6-8-10-12-14-18(3,13-11-9-7-5-2)21-16-15-20-17(21)19/h4-16H2,1-3H3,(H2,19,20)
InChIKeyWZGJNPWXJCEFSW-UHFFFAOYSA-N
XLogP4.71
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-methyltridecan-7-yl)-2,3-dihydropyrrol-5-amine
CID 170309499
(Z)-2-methyl-2-[2-[(Z)-octadec-9-enyl]-4,5-dihydroimidazol-1-yl]icos-11-en-1-amine
CID 70520447
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
1-(7-methyltetradecan-7-yl)-1,3-diazetidine
CID 139436879
1-(6-methyldodecan-6-yl)pyrrolidin-2-amine
CID 170325114
1-(6-methyldodecan-6-yl)azetidin-3-amine
CID 130337700
2-fluoro-5-methyl-1-(5-methyldodecan-5-yl)imidazole
CID 146378039
5-methyl-1-(6-methyltridecan-6-yl)imidazole
CID 146379596
1-(6-methyldodecan-6-yl)pyrazolidin-3-amine
CID 170309506
2-(4,5-dihydroimidazol-1-yl)octadecan-2-ol
CID 70259581

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine (CID 170311743) is 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine is CCCCCCCC(C)(CCCCCC)N1CCN=C1N.
What is the InChIKey of 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is WZGJNPWXJCEFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-6-8-10-12-14-18(3,13-11-9-7-5-2)21-16-15-20-17(21)19/h4-16H2,1-3H3,(H2,19,20).
What are the key properties of 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine?
1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 295.51 g/mol, XLogP of 4.71, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 170311743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).