N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine

C10H21N3 — CID 70630186

IUPACN-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCN1C=NCC1
InChIInChI=1S/C10H21N3/c1-2-3-4-5-11-6-8-13-9-7-12-10-13/h10-11H,2-9H2,1H3
InChIKeyRUVIXXWJYQSKRJ-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.11
Rot. Bonds7

About N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine

N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine (PubChem CID 70630186) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
PubChem CID70630186
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine
SMILESCCCCCNCCN1C=NCC1
InChIInChI=1S/C10H21N3/c1-2-3-4-5-11-6-8-13-9-7-12-10-13/h10-11H,2-9H2,1H3
InChIKeyRUVIXXWJYQSKRJ-UHFFFAOYSA-N
XLogP1.11
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.11
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-heptyl-4,5-dihydroimidazole
CID 19733963
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
ethane-1,2-diol;1-octadecyl-4,5-dihydroimidazole
CID 174904946
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]formamide
CID 86024330
1-[(Z)-icos-9-enyl]-4,5-dihydroimidazole
CID 141148808
N-[2-[2-[2-(4,5-dihydroimidazol-1-yl)ethylamino]ethyl-formylamino]ethyl]formamide
CID 155115202
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
octadec-9-enoic acid;1-octadec-9-enyl-4,5-dihydroimidazole
CID 70617412
3-(4,5-dihydroimidazol-1-yl)propyl-methyl-dipropoxysilane
CID 140625026
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine?
The IUPAC name of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine (CID 70630186) is N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine?
The canonical SMILES for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine is CCCCCNCCN1C=NCC1.
What is the InChIKey of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine?
The InChIKey is RUVIXXWJYQSKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-3-4-5-11-6-8-13-9-7-12-10-13/h10-11H,2-9H2,1H3.
What are the key properties of N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine?
N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydroimidazol-1-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 70630186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).