N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine

C18H37N3 — CID 61210795

IUPACN,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNC(C)C2CCCN(C)C2)(N(C)C)C1
InChIInChI=1S/C18H37N3/c1-15-8-6-10-18(12-15,20(3)4)14-19-16(2)17-9-7-11-21(5)13-17/h15-17,19H,6-14H2,1-5H3
InChIKeyFWTZZAXRDBVBSW-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds5

About N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine (PubChem CID 61210795) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
PubChem CID61210795
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC NameN,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine
SMILESCC1CCCC(CNC(C)C2CCCN(C)C2)(N(C)C)C1
InChIInChI=1S/C18H37N3/c1-15-8-6-10-18(12-15,20(3)4)14-19-16(2)17-9-7-11-21(5)13-17/h15-17,19H,6-14H2,1-5H3
InChIKeyFWTZZAXRDBVBSW-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine (CID 61210795) is N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine is CC1CCCC(CNC(C)C2CCCN(C)C2)(N(C)C)C1.
What is the InChIKey of N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine?
The InChIKey is FWTZZAXRDBVBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15-8-6-10-18(12-15,20(3)4)14-19-16(2)17-9-7-11-21(5)13-17/h15-17,19H,6-14H2,1-5H3.
What are the key properties of N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[[1-(1-methylpiperidin-3-yl)ethylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 61210795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).