[4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol

C10H19NO2 — CID 119056884

IUPAC[4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol
SMILESNC(C1CC1)C1(CO)CCOCC1
InChIInChI=1S/C10H19NO2/c11-9(8-1-2-8)10(7-12)3-5-13-6-4-10/h8-9,12H,1-7,11H2
InChIKeyAUZHJJJMLCMGGH-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.51
Rot. Bonds3

About [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol

[4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol (PubChem CID 119056884) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol
PubChem CID119056884
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name[4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol
SMILESNC(C1CC1)C1(CO)CCOCC1
InChIInChI=1S/C10H19NO2/c11-9(8-1-2-8)10(7-12)3-5-13-6-4-10/h8-9,12H,1-7,11H2
InChIKeyAUZHJJJMLCMGGH-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[4-(aminomethyl)oxan-4-yl]-cyclobutylmethanol
CID 97035401
[4-(aminomethyl)oxan-4-yl]-(4-tert-butylcyclohexyl)methanol
CID 104576133
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
[3-(aminomethyl)oxetan-3-yl]-cyclopentylmethanamine
CID 116945013
[3-(aminomethyl)oxolan-3-yl]-(oxolan-3-yl)methanol
CID 79138729
4-amino-N-(1-cyclopropylethyl)oxane-4-carboxamide
CID 115293707
[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
(2R)-2-amino-2-(1,9-dioxaspiro[5.5]undecan-4-yl)acetic acid
CID 106702805
CID 59369539
CID 59369539
2,6-dioxaspiro[4.5]decan-9-yl-(1-ethylcyclopentyl)methanamine
CID 105017134
4-amino-N-(dicyclopropylmethyl)oxane-4-carboxamide
CID 115294592

Frequently Asked Questions

What is the IUPAC name of [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol (CID 119056884) is [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol is NC(C1CC1)C1(CO)CCOCC1.
What is the InChIKey of [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol?
The InChIKey is AUZHJJJMLCMGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c11-9(8-1-2-8)10(7-12)3-5-13-6-4-10/h8-9,12H,1-7,11H2.
What are the key properties of [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol?
[4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol has a molecular weight of 185.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[amino(cyclopropyl)methyl]oxan-4-yl]methanol is sourced from PubChem (CID 119056884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).