(3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine

C16H30N2O2 — CID 164631892

IUPAC(3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine
SMILESC1CCCC(CN[C@H]2CCOC2)(N2CCOCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-4-7-16(6-3-1,18-8-11-19-12-9-18)14-17-15-5-10-20-13-15/h15,17H,1-14H2/t15-/m0/s1
InChIKeyNQVBOTFXEFFICD-HNNXBMFYSA-N
MW282.43 g/mol
LogP1.79
Rot. Bonds4

About (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine

(3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine (PubChem CID 164631892) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine
PubChem CID164631892
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine
SMILESC1CCCC(CN[C@H]2CCOC2)(N2CCOCC2)CC1
InChIInChI=1S/C16H30N2O2/c1-2-4-7-16(6-3-1,18-8-11-19-12-9-18)14-17-15-5-10-20-13-15/h15,17H,1-14H2/t15-/m0/s1
InChIKeyNQVBOTFXEFFICD-HNNXBMFYSA-N
XLogP1.79
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine?
The IUPAC name of (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine (CID 164631892) is (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine.
What is the SMILES notation for (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine?
The canonical SMILES for (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine is C1CCCC(CN[C@H]2CCOC2)(N2CCOCC2)CC1.
What is the InChIKey of (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine?
The InChIKey is NQVBOTFXEFFICD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-4-7-16(6-3-1,18-8-11-19-12-9-18)14-17-15-5-10-20-13-15/h15,17H,1-14H2/t15-/m0/s1.
What are the key properties of (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine?
(3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine has a molecular weight of 282.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1-morpholin-4-ylcycloheptyl)methyl]oxolan-3-amine is sourced from PubChem (CID 164631892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).