N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine

C14H28N4 — CID 107815854

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cn(CCN)cn1
InChIInChI=1S/C14H28N4/c1-3-5-6-13(4-2)9-16-10-14-11-18(8-7-15)12-17-14/h11-13,16H,3-10,15H2,1-2H3
InChIKeyMNGZVLINHAHJKV-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.15
Rot. Bonds10

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine (PubChem CID 107815854) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
PubChem CID107815854
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
SMILESCCCCC(CC)CNCc1cn(CCN)cn1
InChIInChI=1S/C14H28N4/c1-3-5-6-13(4-2)9-16-10-14-11-18(8-7-15)12-17-14/h11-13,16H,3-10,15H2,1-2H3
InChIKeyMNGZVLINHAHJKV-UHFFFAOYSA-N
XLogP2.15
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-ethylhexyl)imidazol-4-yl]methyl]ethanamine
CID 106718676
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
CID 107815637
(1-butylimidazol-4-yl)methanamine
CID 82467842
(2S)-2-ethyl-N-(pyridin-2-ylmethyl)hexan-1-amine
CID 7036530
2-ethyl-N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]hexan-1-amine
CID 114004597
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
CID 107501173
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3,3,3-trifluoropropan-1-amine
CID 107500936
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
2-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)hexan-1-amine
CID 60683059

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine (CID 107815854) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine is CCCCC(CC)CNCc1cn(CCN)cn1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine?
The InChIKey is MNGZVLINHAHJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-3-5-6-13(4-2)9-16-10-14-11-18(8-7-15)12-17-14/h11-13,16H,3-10,15H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine has a molecular weight of 252.41 g/mol, XLogP of 2.15, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine is sourced from PubChem (CID 107815854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).