N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine

C13H23N3 — CID 166703689

IUPACN-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESC/C=c1/nc([C@H](C)NC(C)C)[nH]/c1=C/CC
InChIInChI=1S/C13H23N3/c1-6-8-12-11(7-2)15-13(16-12)10(5)14-9(3)4/h7-10,14H,6H2,1-5H3,(H,15,16)/b11-7+,12-8+/t10-/m0/s1
InChIKeyUEOZMOSPLLNZJZ-SIDXKJMDSA-N
MW221.35 g/mol
LogP1.46
Rot. Bonds4

About N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine

N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 166703689) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID166703689
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESC/C=c1/nc([C@H](C)NC(C)C)[nH]/c1=C/CC
InChIInChI=1S/C13H23N3/c1-6-8-12-11(7-2)15-13(16-12)10(5)14-9(3)4/h7-10,14H,6H2,1-5H3,(H,15,16)/b11-7+,12-8+/t10-/m0/s1
InChIKeyUEOZMOSPLLNZJZ-SIDXKJMDSA-N
XLogP1.46
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 166703689) is N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine is C/C=c1/nc([C@H](C)NC(C)C)[nH]/c1=C/CC.
What is the InChIKey of N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is UEOZMOSPLLNZJZ-SIDXKJMDSA-N. The full InChI is InChI=1S/C13H23N3/c1-6-8-12-11(7-2)15-13(16-12)10(5)14-9(3)4/h7-10,14H,6H2,1-5H3,(H,15,16)/b11-7+,12-8+/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 221.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 166703689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).