N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine

C18H40N4 — CID 142390913

IUPACN-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine
SMILESC=C(CN1CCN(CCC)CC1)NC.CCCN(C)CCC
InChIInChI=1S/C11H23N3.C7H17N/c1-4-5-13-6-8-14(9-7-13)10-11(2)12-3;1-4-6-8(3)7-5-2/h12H,2,4-10H2,1,3H3;4-7H2,1-3H3
InChIKeyVQBDURZKXONCHF-UHFFFAOYSA-N
MW312.55 g/mol
LogP2.49
Rot. Bonds9

About N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine

N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine (PubChem CID 142390913) has the molecular formula C18H40N4 and a molecular weight of 312.55 g/mol. Its IUPAC name is N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine
PubChem CID142390913
Molecular FormulaC18H40N4
Molecular Weight312.55 g/mol
Exact Mass312.33
IUPAC NameN-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine
SMILESC=C(CN1CCN(CCC)CC1)NC.CCCN(C)CCC
InChIInChI=1S/C11H23N3.C7H17N/c1-4-5-13-6-8-14(9-7-13)10-11(2)12-3;1-4-6-8(3)7-5-2/h12H,2,4-10H2,1,3H3;4-7H2,1-3H3
InChIKeyVQBDURZKXONCHF-UHFFFAOYSA-N
XLogP2.49
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.55
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine?
The IUPAC name of N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine (CID 142390913) is N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine?
The canonical SMILES for N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine is C=C(CN1CCN(CCC)CC1)NC.CCCN(C)CCC.
What is the InChIKey of N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine?
The InChIKey is VQBDURZKXONCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3.C7H17N/c1-4-5-13-6-8-14(9-7-13)10-11(2)12-3;1-4-6-8(3)7-5-2/h12H,2,4-10H2,1,3H3;4-7H2,1-3H3.
What are the key properties of N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine?
N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine has a molecular weight of 312.55 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propylpiperazin-1-yl)prop-1-en-2-amine;N-methyl-N-propylpropan-1-amine is sourced from PubChem (CID 142390913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).