2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine

C18H37N3 — CID 62708869

IUPAC2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCC(CN(C)C)CC2)C1
InChIInChI=1S/C18H37N3/c1-14(2)16-5-6-18(19)17(11-16)13-21-9-7-15(8-10-21)12-20(3)4/h14-18H,5-13,19H2,1-4H3
InChIKeyCRKRJPOMDMSUEI-UHFFFAOYSA-N
MW295.52 g/mol
LogP2.66
Rot. Bonds5

About 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine

2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 62708869) has the molecular formula C18H37N3 and a molecular weight of 295.52 g/mol. Its IUPAC name is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID62708869
Molecular FormulaC18H37N3
Molecular Weight295.52 g/mol
Exact Mass295.30
IUPAC Name2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(N)C(CN2CCC(CN(C)C)CC2)C1
InChIInChI=1S/C18H37N3/c1-14(2)16-5-6-18(19)17(11-16)13-21-9-7-15(8-10-21)12-20(3)4/h14-18H,5-13,19H2,1-4H3
InChIKeyCRKRJPOMDMSUEI-UHFFFAOYSA-N
XLogP2.66
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine (CID 62708869) is 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(N)C(CN2CCC(CN(C)C)CC2)C1.
What is the InChIKey of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is CRKRJPOMDMSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-14(2)16-5-6-18(19)17(11-16)13-21-9-7-15(8-10-21)12-20(3)4/h14-18H,5-13,19H2,1-4H3.
What are the key properties of 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine?
2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 295.52 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 62708869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).