2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

C14H27N3O — CID 66130579

IUPAC2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNCCOCCC(C)C
InChIInChI=1S/C14H27N3O/c1-4-7-17-12-16-11-14(17)10-15-6-9-18-8-5-13(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyVBDQWIQMLKJEQW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.45
Rot. Bonds10

About 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine

2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (PubChem CID 66130579) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
PubChem CID66130579
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
SMILESCCCn1cncc1CNCCOCCC(C)C
InChIInChI=1S/C14H27N3O/c1-4-7-17-12-16-11-14(17)10-15-6-9-18-8-5-13(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyVBDQWIQMLKJEQW-UHFFFAOYSA-N
XLogP2.45
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
2-[3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]ethanamine
CID 114719479
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
2-[(3-propylimidazol-4-yl)methylamino]ethanesulfonamide
CID 66135415

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine (CID 66130579) is 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is CCCn1cncc1CNCCOCCC(C)C.
What is the InChIKey of 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
The InChIKey is VBDQWIQMLKJEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-7-17-12-16-11-14(17)10-15-6-9-18-8-5-13(2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine?
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine has a molecular weight of 253.39 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 66130579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).