N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine

C19H41N3 — CID 142409406

IUPACN-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
SMILESC=C(CC)NC.CCCC(CCC)CCN1CCN(C)CC1
InChIInChI=1S/C14H30N2.C5H11N/c1-4-6-14(7-5-2)8-9-16-12-10-15(3)11-13-16;1-4-5(2)6-3/h14H,4-13H2,1-3H3;6H,2,4H2,1,3H3
InChIKeyPQJDJMUQGPRSFY-UHFFFAOYSA-N
MW311.56 g/mol
LogP3.97
Rot. Bonds9

About N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine

N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine (PubChem CID 142409406) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine.

Molecular Properties

Compound NameN-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
PubChem CID142409406
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC NameN-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
SMILESC=C(CC)NC.CCCC(CCC)CCN1CCN(C)CC1
InChIInChI=1S/C14H30N2.C5H11N/c1-4-6-14(7-5-2)8-9-16-12-10-15(3)11-13-16;1-4-5(2)6-3/h14H,4-13H2,1-3H3;6H,2,4H2,1,3H3
InChIKeyPQJDJMUQGPRSFY-UHFFFAOYSA-N
XLogP3.97
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
The IUPAC name of N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine (CID 142409406) is N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine.
What is the SMILES notation for N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
The canonical SMILES for N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine is C=C(CC)NC.CCCC(CCC)CCN1CCN(C)CC1.
What is the InChIKey of N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
The InChIKey is PQJDJMUQGPRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.C5H11N/c1-4-6-14(7-5-2)8-9-16-12-10-15(3)11-13-16;1-4-5(2)6-3/h14H,4-13H2,1-3H3;6H,2,4H2,1,3H3.
What are the key properties of N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine has a molecular weight of 311.56 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine is sourced from PubChem (CID 142409406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).