trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine

C16H33N3 — CID 66634462

IUPACtrans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCN(C)[C@H]1CCC[C@H](N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H33N3/c1-5-17(4)15-7-6-8-16(13-15)19-11-9-18(10-12-19)14(2)3/h14-16H,5-13H2,1-4H3/t15-,16-/m0/s1
InChIKeyIOIILFROLRKOAO-HOTGVXAUSA-N
MW267.46 g/mol
LogP2.28
Rot. Bonds4

About trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine

trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 66634462) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID66634462
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Nametrans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCN(C)[C@H]1CCC[C@H](N2CCN(C(C)C)CC2)C1
InChIInChI=1S/C16H33N3/c1-5-17(4)15-7-6-8-16(13-15)19-11-9-18(10-12-19)14(2)3/h14-16H,5-13H2,1-4H3/t15-,16-/m0/s1
InChIKeyIOIILFROLRKOAO-HOTGVXAUSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine (CID 66634462) is trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine is CCN(C)[C@H]1CCC[C@H](N2CCN(C(C)C)CC2)C1.
What is the InChIKey of trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is IOIILFROLRKOAO-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-17(4)15-7-6-8-16(13-15)19-11-9-18(10-12-19)14(2)3/h14-16H,5-13H2,1-4H3/t15-,16-/m0/s1.
What are the key properties of trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine?
trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-N-ethyl-N-methyl-3-(4-propan-2-ylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 66634462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).