N-(oxan-4-ylmethyl)cyclohexanamine

C12H23NO — CID 61269562

IUPACN-(oxan-4-ylmethyl)cyclohexanamine
SMILESC1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-12(5-3-1)13-10-11-6-8-14-9-7-11/h11-13H,1-10H2
InChIKeyUWJJOXQQSBAPQV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds3

About N-(oxan-4-ylmethyl)cyclohexanamine

N-(oxan-4-ylmethyl)cyclohexanamine (PubChem CID 61269562) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)cyclohexanamine
PubChem CID61269562
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(oxan-4-ylmethyl)cyclohexanamine
SMILESC1CCC(NCC2CCOCC2)CC1
InChIInChI=1S/C12H23NO/c1-2-4-12(5-3-1)13-10-11-6-8-14-9-7-11/h11-13H,1-10H2
InChIKeyUWJJOXQQSBAPQV-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-ylmethyl)cycloheptanamine
CID 61269563
N-(oxolan-3-ylmethyl)cycloheptanamine
CID 43202465
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
CID 65088248
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-[[(3S)-oxolan-3-yl]methyl]cyclopropanamine
CID 30427697
(3S)-N-(cyclopentylmethyl)oxan-3-amine
CID 95305960
2-(cyclopentylamino)-N-(oxan-4-ylmethyl)acetamide
CID 63707149
N-(oxan-4-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 63727494
N-(piperidin-4-ylmethyl)cyclododecanamine
CID 83958053
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)cyclohexanamine?
The IUPAC name of N-(oxan-4-ylmethyl)cyclohexanamine (CID 61269562) is N-(oxan-4-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)cyclohexanamine is C1CCC(NCC2CCOCC2)CC1.
What is the InChIKey of N-(oxan-4-ylmethyl)cyclohexanamine?
The InChIKey is UWJJOXQQSBAPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-4-12(5-3-1)13-10-11-6-8-14-9-7-11/h11-13H,1-10H2.
What are the key properties of N-(oxan-4-ylmethyl)cyclohexanamine?
N-(oxan-4-ylmethyl)cyclohexanamine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)cyclohexanamine is sourced from PubChem (CID 61269562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).