(1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine

C14H25N3 — CID 89423832

IUPAC(1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine
SMILESC=C(C(C)C/C(=C\N)C1CC1)N1CCNCC1
InChIInChI=1S/C14H25N3/c1-11(9-14(10-15)13-3-4-13)12(2)17-7-5-16-6-8-17/h10-11,13,16H,2-9,15H2,1H3/b14-10+
InChIKeyCHTLQQQEPVWERP-GXDHUFHOSA-N
MW235.37 g/mol
LogP1.68
Rot. Bonds5

About (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine

(1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine (PubChem CID 89423832) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine
PubChem CID89423832
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine
SMILESC=C(C(C)C/C(=C\N)C1CC1)N1CCNCC1
InChIInChI=1S/C14H25N3/c1-11(9-14(10-15)13-3-4-13)12(2)17-7-5-16-6-8-17/h10-11,13,16H,2-9,15H2,1H3/b14-10+
InChIKeyCHTLQQQEPVWERP-GXDHUFHOSA-N
XLogP1.68
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine?
The IUPAC name of (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine (CID 89423832) is (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine.
What is the SMILES notation for (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine?
The canonical SMILES for (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine is C=C(C(C)C/C(=C\N)C1CC1)N1CCNCC1.
What is the InChIKey of (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine?
The InChIKey is CHTLQQQEPVWERP-GXDHUFHOSA-N. The full InChI is InChI=1S/C14H25N3/c1-11(9-14(10-15)13-3-4-13)12(2)17-7-5-16-6-8-17/h10-11,13,16H,2-9,15H2,1H3/b14-10+.
What are the key properties of (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine?
(1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine has a molecular weight of 235.37 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-cyclopropyl-4-methyl-5-piperazin-1-ylhexa-1,5-dien-1-amine is sourced from PubChem (CID 89423832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).