N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride

C9H20ClNO — CID 122240134

IUPACN,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
SMILESCNCC(C)(C)C1CCOC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,7-10-3)8-4-5-11-6-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyXVLLJMLPDDDXRZ-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.69
Rot. Bonds3

About N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride

N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride (PubChem CID 122240134) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
PubChem CID122240134
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC NameN,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride
SMILESCNCC(C)(C)C1CCOC1.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,7-10-3)8-4-5-11-6-8;/h8,10H,4-7H2,1-3H3;1H
InChIKeyXVLLJMLPDDDXRZ-UHFFFAOYSA-N
XLogP1.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-2-(oxolan-3-yloxy)propan-1-amine
CID 63558709
2-(oxolan-3-yl)propane-2-thiol
CID 126657698
N-(cyclopropylmethyl)-2-methyl-2-(oxan-4-yl)propan-1-amine
CID 165466110
N-[2-methyl-2-(oxan-4-yl)propyl]carbamoyl bromide
CID 115194315
4-(2-methylbutan-2-yl)oxane
CID 91527752
1,1-difluoro-N,N-dimethyl-1-(oxolan-3-yl)methanamine
CID 66999978
2-cyclopentyl-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115888052
2-ethyl-N,N',2-trimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744251
3-(1-chloro-2-methylpropan-2-yl)oxane
CID 165474775
N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 30427580
N-[2-methyl-2-(oxan-4-yl)propyl]pyrrolidin-3-amine
CID 115119209
methyl 2-[[2-methyl-2-(oxan-4-yl)propyl]amino]acetate
CID 115233259

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride?
The IUPAC name of N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride (CID 122240134) is N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride?
The canonical SMILES for N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride is CNCC(C)(C)C1CCOC1.Cl.
What is the InChIKey of N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride?
The InChIKey is XVLLJMLPDDDXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,7-10-3)8-4-5-11-6-8;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride?
N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(oxolan-3-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 122240134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).