N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine

C16H32N2O — CID 63979129

IUPACN-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
SMILESCOCC1CCN(CCNC2CCCC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-14-4-3-5-16(12-14)17-8-11-18-9-6-15(7-10-18)13-19-2/h14-17H,3-13H2,1-2H3
InChIKeyGQDNWQUUROWELH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine

N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine (PubChem CID 63979129) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
PubChem CID63979129
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine
SMILESCOCC1CCN(CCNC2CCCC(C)C2)CC1
InChIInChI=1S/C16H32N2O/c1-14-4-3-5-16(12-14)17-8-11-18-9-6-15(7-10-18)13-19-2/h14-17H,3-13H2,1-2H3
InChIKeyGQDNWQUUROWELH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine?
The IUPAC name of N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine (CID 63979129) is N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine is COCC1CCN(CCNC2CCCC(C)C2)CC1.
What is the InChIKey of N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine?
The InChIKey is GQDNWQUUROWELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-14-4-3-5-16(12-14)17-8-11-18-9-6-15(7-10-18)13-19-2/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine?
N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methoxymethyl)piperidin-1-yl]ethyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 63979129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).