N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine

C12H21N3 — CID 56714914

IUPACN-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine
SMILESC=CCC(C)(C)CN(C)Cc1ncc[nH]1
InChIInChI=1S/C12H21N3/c1-5-6-12(2,3)10-15(4)9-11-13-7-8-14-11/h5,7-8H,1,6,9-10H2,2-4H3,(H,13,14)
InChIKeyLXKQBECHBZFQAF-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.44
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine

N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine (PubChem CID 56714914) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine
PubChem CID56714914
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine
SMILESC=CCC(C)(C)CN(C)Cc1ncc[nH]1
InChIInChI=1S/C12H21N3/c1-5-6-12(2,3)10-15(4)9-11-13-7-8-14-11/h5,7-8H,1,6,9-10H2,2-4H3,(H,13,14)
InChIKeyLXKQBECHBZFQAF-UHFFFAOYSA-N
XLogP2.44
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 162617
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2-dec-9-enyl-1H-imidazole
CID 42604659
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CID 241106
2-Subsituted 1H-imidazole, 26
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2-Subsituted 1H-imidazole, 28
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N-[(1-ethylcyclopentyl)methyl]-1-(1H-imidazol-2-yl)methanamine
CID 71851037
1-(1H-imidazol-2-yl)-N-[(1-propylcyclobutyl)methyl]methanamine
CID 71920250
2-prop-2-enyl-1H-imidazole
CID 10057459
N-ethyl-N-(1H-imidazol-2-ylmethyl)ethanamine
CID 14627457

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine (CID 56714914) is N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine is C=CCC(C)(C)CN(C)Cc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine?
The InChIKey is LXKQBECHBZFQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-6-12(2,3)10-15(4)9-11-13-7-8-14-11/h5,7-8H,1,6,9-10H2,2-4H3,(H,13,14).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine?
N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-N,2,2-trimethylpent-4-en-1-amine is sourced from PubChem (CID 56714914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).