(2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride

C9H18ClNO — CID 75481138

IUPAC(2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride
SMILESCC1(CN)CCOC1C1CC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-9(6-10)4-5-11-8(9)7-2-3-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyDVJRFSLOZVOECW-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.57
Rot. Bonds2

About (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride

(2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride (PubChem CID 75481138) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride
PubChem CID75481138
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name(2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride
SMILESCC1(CN)CCOC1C1CC1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-9(6-10)4-5-11-8(9)7-2-3-7;/h7-8H,2-6,10H2,1H3;1H
InChIKeyDVJRFSLOZVOECW-UHFFFAOYSA-N
XLogP1.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride?
The IUPAC name of (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride (CID 75481138) is (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride?
The canonical SMILES for (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride is CC1(CN)CCOC1C1CC1.Cl.
What is the InChIKey of (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride?
The InChIKey is DVJRFSLOZVOECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-9(6-10)4-5-11-8(9)7-2-3-7;/h7-8H,2-6,10H2,1H3;1H.
What are the key properties of (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride?
(2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-3-methyloxolan-3-yl)methanamine;hydrochloride is sourced from PubChem (CID 75481138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).