N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride

C8H18ClNO — CID 172772952

IUPACN-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
SMILESCC(C)NCC1CCCO1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2)9-6-8-4-3-5-10-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyNEZYCEFTIKFKRN-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds3

About N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride

N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride (PubChem CID 172772952) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
PubChem CID172772952
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC NameN-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
SMILESCC(C)NCC1CCCO1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-7(2)9-6-8-4-3-5-10-8;/h7-9H,3-6H2,1-2H3;1H
InChIKeyNEZYCEFTIKFKRN-UHFFFAOYSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[[(2S)-oxolan-2-yl]methyl]-1-N-propan-2-ylpropane-1,2-diamine
CID 104856010
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
1,1-bis(oxolan-2-ylmethylamino)propan-2-ol
CID 90119922
1-cyclopentyl-N-(oxolan-2-ylmethyl)ethanamine
CID 62633315
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
3-(oxolan-2-ylmethylamino)butan-1-ol
CID 83177846
(2R)-1-methoxy-N-[[(2S)-oxolan-2-yl]methyl]propan-2-amine
CID 28571154
N-[[5-[[methyl(oxolan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62437130
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
N-(1,3-dioxan-4-ylmethyl)propan-2-amine
CID 81100823
4-cyclopentyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 115705992
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride?
The IUPAC name of N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride (CID 172772952) is N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride.
What is the SMILES notation for N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride?
The canonical SMILES for N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride is CC(C)NCC1CCCO1.Cl.
What is the InChIKey of N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride?
The InChIKey is NEZYCEFTIKFKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-7(2)9-6-8-4-3-5-10-8;/h7-9H,3-6H2,1-2H3;1H.
What are the key properties of N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride?
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride is sourced from PubChem (CID 172772952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).