N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine

C16H29N3 — CID 107010420

IUPACN-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESC=CCCCCCn1c(CNC(C)(C)C)cnc1C
InChIInChI=1S/C16H29N3/c1-6-7-8-9-10-11-19-14(2)17-12-15(19)13-18-16(3,4)5/h6,12,18H,1,7-11,13H2,2-5H3
InChIKeyCNODUXBEVMLFBO-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.83
Rot. Bonds8

About N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine

N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine (PubChem CID 107010420) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine
PubChem CID107010420
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine
SMILESC=CCCCCCn1c(CNC(C)(C)C)cnc1C
InChIInChI=1S/C16H29N3/c1-6-7-8-9-10-11-19-14(2)17-12-15(19)13-18-16(3,4)5/h6,12,18H,1,7-11,13H2,2-5H3
InChIKeyCNODUXBEVMLFBO-UHFFFAOYSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine (CID 107010420) is N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine is C=CCCCCCn1c(CNC(C)(C)C)cnc1C.
What is the InChIKey of N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is CNODUXBEVMLFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-7-8-9-10-11-19-14(2)17-12-15(19)13-18-16(3,4)5/h6,12,18H,1,7-11,13H2,2-5H3.
What are the key properties of N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine?
N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hept-6-enyl-2-methylimidazol-4-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107010420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).