N-(oxan-4-ylmethyl)cycloheptanamine

C13H25NO — CID 61269563

IUPACN-(oxan-4-ylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-2-4-6-13(5-3-1)14-11-12-7-9-15-10-8-12/h12-14H,1-11H2
InChIKeySLNLGAVJCZUVHV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.73
Rot. Bonds3

About N-(oxan-4-ylmethyl)cycloheptanamine

N-(oxan-4-ylmethyl)cycloheptanamine (PubChem CID 61269563) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)cycloheptanamine
PubChem CID61269563
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-(oxan-4-ylmethyl)cycloheptanamine
SMILESC1CCCC(NCC2CCOCC2)CC1
InChIInChI=1S/C13H25NO/c1-2-4-6-13(5-3-1)14-11-12-7-9-15-10-8-12/h12-14H,1-11H2
InChIKeySLNLGAVJCZUVHV-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-ylmethyl)cyclohexanamine
CID 61269562
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)cycloheptanamine?
The IUPAC name of N-(oxan-4-ylmethyl)cycloheptanamine (CID 61269563) is N-(oxan-4-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(oxan-4-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(oxan-4-ylmethyl)cycloheptanamine is C1CCCC(NCC2CCOCC2)CC1.
What is the InChIKey of N-(oxan-4-ylmethyl)cycloheptanamine?
The InChIKey is SLNLGAVJCZUVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-4-6-13(5-3-1)14-11-12-7-9-15-10-8-12/h12-14H,1-11H2.
What are the key properties of N-(oxan-4-ylmethyl)cycloheptanamine?
N-(oxan-4-ylmethyl)cycloheptanamine has a molecular weight of 211.35 g/mol, XLogP of 2.73, 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)cycloheptanamine is sourced from PubChem (CID 61269563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).