N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine

C19H30N2O — CID 153032306

IUPACN-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cnccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O/c1-15-14-20-10-7-19(15)17-4-2-16(3-5-17)6-11-21-18-8-12-22-13-9-18/h7,10,14,16-18,21H,2-6,8-9,11-13H2,1H3
InChIKeyVEAULCQYEBUHSO-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.82
Rot. Bonds5

About N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine

N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (PubChem CID 153032306) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
PubChem CID153032306
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine
SMILESCc1cnccc1C1CCC(CCNC2CCOCC2)CC1
InChIInChI=1S/C19H30N2O/c1-15-14-20-10-7-19(15)17-4-2-16(3-5-17)6-11-21-18-8-12-22-13-9-18/h7,10,14,16-18,21H,2-6,8-9,11-13H2,1H3
InChIKeyVEAULCQYEBUHSO-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The IUPAC name of N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine (CID 153032306) is N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The canonical SMILES for N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is Cc1cnccc1C1CCC(CCNC2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
The InChIKey is VEAULCQYEBUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15-14-20-10-7-19(15)17-4-2-16(3-5-17)6-11-21-18-8-12-22-13-9-18/h7,10,14,16-18,21H,2-6,8-9,11-13H2,1H3.
What are the key properties of N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine?
N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine has a molecular weight of 302.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methyl-4-pyridinyl)cyclohexyl]ethyl]oxan-4-amine is sourced from PubChem (CID 153032306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).