(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine

C20H37N3 — CID 129269611

IUPAC(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine
SMILESC=C(C)/C(C)=C(\NC)NC(CC)NC1CCCC(/C(C)=C\C)C1
InChIInChI=1S/C20H37N3/c1-8-15(5)17-11-10-12-18(13-17)22-19(9-2)23-20(21-7)16(6)14(3)4/h8,17-19,21-23H,3,9-13H2,1-2,4-7H3/b15-8-,20-16+
InChIKeyKTEQRAHHALJHLJ-HVINPANVSA-N
MW319.54 g/mol
LogP4.45
Rot. Bonds8

About (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine

(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine (PubChem CID 129269611) has the molecular formula C20H37N3 and a molecular weight of 319.54 g/mol. Its IUPAC name is (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine
PubChem CID129269611
Molecular FormulaC20H37N3
Molecular Weight319.54 g/mol
Exact Mass319.30
IUPAC Name(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine
SMILESC=C(C)/C(C)=C(\NC)NC(CC)NC1CCCC(/C(C)=C\C)C1
InChIInChI=1S/C20H37N3/c1-8-15(5)17-11-10-12-18(13-17)22-19(9-2)23-20(21-7)16(6)14(3)4/h8,17-19,21-23H,3,9-13H2,1-2,4-7H3/b15-8-,20-16+
InChIKeyKTEQRAHHALJHLJ-HVINPANVSA-N
XLogP4.45
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.54
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine?
The IUPAC name of (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine (CID 129269611) is (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine?
The canonical SMILES for (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine is C=C(C)/C(C)=C(\NC)NC(CC)NC1CCCC(/C(C)=C\C)C1.
What is the InChIKey of (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine?
The InChIKey is KTEQRAHHALJHLJ-HVINPANVSA-N. The full InChI is InChI=1S/C20H37N3/c1-8-15(5)17-11-10-12-18(13-17)22-19(9-2)23-20(21-7)16(6)14(3)4/h8,17-19,21-23H,3,9-13H2,1-2,4-7H3/b15-8-,20-16+.
What are the key properties of (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine?
(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine has a molecular weight of 319.54 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine is sourced from PubChem (CID 129269611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).