N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine

C13H25N3 — CID 62566090

IUPACN-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine
SMILESCCc1nccn1C(C)CNCCC(C)C
InChIInChI=1S/C13H25N3/c1-5-13-15-8-9-16(13)12(4)10-14-7-6-11(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyDPTBUMRRUGPPAL-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.64
Rot. Bonds7

About N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine

N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine (PubChem CID 62566090) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine
PubChem CID62566090
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine
SMILESCCc1nccn1C(C)CNCCC(C)C
InChIInChI=1S/C13H25N3/c1-5-13-15-8-9-16(13)12(4)10-14-7-6-11(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyDPTBUMRRUGPPAL-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.64
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

2-(2-ethylimidazol-1-yl)-N-methylpropan-1-amine
CID 62442957
4-(2-ethylimidazol-1-yl)pentan-1-amine
CID 62442760
2-ethyl-1-heptan-4-ylimidazole
CID 91216339
3-methyl-N-(2-pyrimidin-2-ylsulfanylpropyl)butan-1-amine
CID 62578838
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanenitrile
CID 64727550
4-(2-ethylimidazol-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64703484
2-(2-ethylimidazol-1-yl)-N-pentan-2-ylpropanamide
CID 63810997
N-(2-methylpropyl)-3-(1-propylimidazol-2-yl)butan-1-amine
CID 81018634
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
2-(cyclopropylamino)-4-(2-ethylimidazol-1-yl)-2-methylpentan-1-ol
CID 64810100
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine (CID 62566090) is N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine is CCc1nccn1C(C)CNCCC(C)C.
What is the InChIKey of N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine?
The InChIKey is DPTBUMRRUGPPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-13-15-8-9-16(13)12(4)10-14-7-6-11(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine?
N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylimidazol-1-yl)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62566090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).