1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine

C14H31N5 — CID 91018359

IUPAC1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine
SMILESCCC(CCCCCCNCCN)NC1=NCCN1
InChIInChI=1S/C14H31N5/c1-2-13(19-14-17-11-12-18-14)7-5-3-4-6-9-16-10-8-15/h13,16H,2-12,15H2,1H3,(H2,17,18,19)
InChIKeyULDDYXUASMTBKN-UHFFFAOYSA-N
MW269.44 g/mol
LogP0.81
Rot. Bonds11

About 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine

1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine (PubChem CID 91018359) has the molecular formula C14H31N5 and a molecular weight of 269.44 g/mol. Its IUPAC name is 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine.

Molecular Properties

Compound Name1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine
PubChem CID91018359
Molecular FormulaC14H31N5
Molecular Weight269.44 g/mol
Exact Mass269.26
IUPAC Name1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine
SMILESCCC(CCCCCCNCCN)NC1=NCCN1
InChIInChI=1S/C14H31N5/c1-2-13(19-14-17-11-12-18-14)7-5-3-4-6-9-16-10-8-15/h13,16H,2-12,15H2,1H3,(H2,17,18,19)
InChIKeyULDDYXUASMTBKN-UHFFFAOYSA-N
XLogP0.81
TPSA74.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.44
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)butan-1-ol
CID 130685314
N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
CID 22594256
2-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 115606316
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
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1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
CID 134386603
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
CID 129144601
3-(4,5-dihydro-1H-imidazol-2-ylamino)butan-1-ol
CID 114400383
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
2-methyl-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)pentan-2-ol
CID 130778822
N'-(7-methyloctyl)-3-propylhexane-1,6-diamine
CID 107815793
N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ethane-1,2-diamine;dihydrochloride
CID 139950285

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine?
The IUPAC name of 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine (CID 91018359) is 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine.
What is the SMILES notation for 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine?
The canonical SMILES for 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine is CCC(CCCCCCNCCN)NC1=NCCN1.
What is the InChIKey of 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine?
The InChIKey is ULDDYXUASMTBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5/c1-2-13(19-14-17-11-12-18-14)7-5-3-4-6-9-16-10-8-15/h13,16H,2-12,15H2,1H3,(H2,17,18,19).
What are the key properties of 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine?
1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine has a molecular weight of 269.44 g/mol, XLogP of 0.81, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-aminoethyl)-7-N-(4,5-dihydro-1H-imidazol-2-yl)nonane-1,7-diamine is sourced from PubChem (CID 91018359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).