N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine

C15H30N4 — CID 107815637

IUPACN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCc1cn(CCN)cn1
InChIInChI=1S/C15H30N4/c1-14(2)7-5-3-4-6-9-17-11-15-12-19(10-8-16)13-18-15/h12-14,17H,3-11,16H2,1-2H3
InChIKeyHJWUXYKQDPJRRB-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.54
Rot. Bonds11

About N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine (PubChem CID 107815637) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine.

Molecular Properties

Compound NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
PubChem CID107815637
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
SMILESCC(C)CCCCCCNCc1cn(CCN)cn1
InChIInChI=1S/C15H30N4/c1-14(2)7-5-3-4-6-9-17-11-15-12-19(10-8-16)13-18-15/h12-14,17H,3-11,16H2,1-2H3
InChIKeyHJWUXYKQDPJRRB-UHFFFAOYSA-N
XLogP2.54
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3,3,3-trifluoropropan-1-amine
CID 107500936
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-ethylhexan-1-amine
CID 107815854
N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 106719321
N-methyl-2-[1-(3-methylbutyl)imidazol-4-yl]ethanamine
CID 79985899
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
2-[4-[(7-methyloctylamino)methyl]triazol-1-yl]ethanol
CID 66270359
7-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]octan-1-amine
CID 114004095
5-methyl-N-(1,3-thiazol-4-ylmethyl)hexan-1-amine
CID 79002634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine?
The IUPAC name of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine (CID 107815637) is N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine.
What is the SMILES notation for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine?
The canonical SMILES for N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine is CC(C)CCCCCCNCc1cn(CCN)cn1.
What is the InChIKey of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine?
The InChIKey is HJWUXYKQDPJRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-14(2)7-5-3-4-6-9-17-11-15-12-19(10-8-16)13-18-15/h12-14,17H,3-11,16H2,1-2H3.
What are the key properties of N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine?
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.54, 11 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]-7-methyloctan-1-amine is sourced from PubChem (CID 107815637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).