(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine

C16H31N3 — CID 70301731

IUPAC(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine
SMILESC=C([C@H](C1CCCCC1)N(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-14(19-12-10-18(4)11-13-19)16(17(2)3)15-8-6-5-7-9-15/h15-16H,1,5-13H2,2-4H3/t16-/m1/s1
InChIKeyTYUWITXCWZDVLI-MRXNPFEDSA-N
MW265.44 g/mol
LogP2.26
Rot. Bonds4

About (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine

(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine (PubChem CID 70301731) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine
PubChem CID70301731
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine
SMILESC=C([C@H](C1CCCCC1)N(C)C)N1CCN(C)CC1
InChIInChI=1S/C16H31N3/c1-14(19-12-10-18(4)11-13-19)16(17(2)3)15-8-6-5-7-9-15/h15-16H,1,5-13H2,2-4H3/t16-/m1/s1
InChIKeyTYUWITXCWZDVLI-MRXNPFEDSA-N
XLogP2.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Cyclohexylethenyl)piperidine
CID 17997377
1-Methyl-4-(1-prop-1-en-2-ylcyclohexyl)piperazine
CID 59639454
1,1-Bis(prop-2-enyl)-4-(4-prop-2-enylcyclohexyl)piperazin-1-ium
CID 67027605
1-(1-Cyclohexylethenyl)-4-methylpiperidine
CID 68014562
(1S)-1-cyclohexyl-N-methyl-2-piperazin-1-ylprop-2-en-1-amine
CID 70299271
(1S)-1-cyclohexyl-N-methyl-2-piperidin-1-ylprop-2-en-1-amine
CID 70301730
1-[1-(4-methylpiperazin-1-yl)ethenyl]-N-propan-2-ylcyclohexan-1-amine
CID 70309538
(2Z)-2-(cyclohexylmethylidene)-1,4-dimethyl-3-propan-2-ylpiperazine
CID 71161404
3-Butyl-2-methyl-1-(2-methylbut-3-enyl)-6-methylidenepiperidine
CID 89197869
1-(5-Methylhex-1-en-2-yl)-4-propan-2-ylpiperazine
CID 89459515
1-Methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)prop-1-en-2-yl]piperazine
CID 121277356
1-(4-Propan-2-ylcyclohexyl)-4-prop-1-en-2-ylpiperazine
CID 122645118

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine (CID 70301731) is (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine is C=C([C@H](C1CCCCC1)N(C)C)N1CCN(C)CC1.
What is the InChIKey of (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
The InChIKey is TYUWITXCWZDVLI-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(19-12-10-18(4)11-13-19)16(17(2)3)15-8-6-5-7-9-15/h15-16H,1,5-13H2,2-4H3/t16-/m1/s1.
What are the key properties of (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine?
(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine is sourced from PubChem (CID 70301731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).