N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine

C19H37NO — CID 131966173

IUPACN,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
SMILESCC(CCC(C)C1CCC(N(C)C)CC1)C1CCOCC1
InChIInChI=1S/C19H37NO/c1-15(17-7-9-19(10-8-17)20(3)4)5-6-16(2)18-11-13-21-14-12-18/h15-19H,5-14H2,1-4H3
InChIKeyNOXMVRJJQPNYIL-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.59
Rot. Bonds6

About N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine

N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine (PubChem CID 131966173) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
PubChem CID131966173
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine
SMILESCC(CCC(C)C1CCC(N(C)C)CC1)C1CCOCC1
InChIInChI=1S/C19H37NO/c1-15(17-7-9-19(10-8-17)20(3)4)5-6-16(2)18-11-13-21-14-12-18/h15-19H,5-14H2,1-4H3
InChIKeyNOXMVRJJQPNYIL-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine (CID 131966173) is N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine is CC(CCC(C)C1CCC(N(C)C)CC1)C1CCOCC1.
What is the InChIKey of N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
The InChIKey is NOXMVRJJQPNYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15(17-7-9-19(10-8-17)20(3)4)5-6-16(2)18-11-13-21-14-12-18/h15-19H,5-14H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine?
N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(oxan-4-yl)hexan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 131966173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).