N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

C11H22N4 — CID 107442813

IUPACN'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(NCC(CN)C(C)C)c1ncc[nH]1
InChIInChI=1S/C11H22N4/c1-8(2)10(6-12)7-15-9(3)11-13-4-5-14-11/h4-5,8-10,15H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyFNDJKQVIHWJPOC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.29
Rot. Bonds6

About N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine

N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442813) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442813
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
SMILESCC(NCC(CN)C(C)C)c1ncc[nH]1
InChIInChI=1S/C11H22N4/c1-8(2)10(6-12)7-15-9(3)11-13-4-5-14-11/h4-5,8-10,15H,6-7,12H2,1-3H3,(H,13,14)
InChIKeyFNDJKQVIHWJPOC-UHFFFAOYSA-N
XLogP1.29
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine (CID 107442813) is N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is CC(NCC(CN)C(C)C)c1ncc[nH]1.
What is the InChIKey of N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is FNDJKQVIHWJPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(2)10(6-12)7-15-9(3)11-13-4-5-14-11/h4-5,8-10,15H,6-7,12H2,1-3H3,(H,13,14).
What are the key properties of N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine?
N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 210.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).