(3-tert-butyloxolan-3-yl)methanamine

C9H19NO — CID 83815554

IUPAC(3-tert-butyloxolan-3-yl)methanamine
SMILESCC(C)(C)C1(CN)CCOC1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(6-10)4-5-11-7-9/h4-7,10H2,1-3H3
InChIKeyMEVZUGBLRPCEHY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds1

About (3-tert-butyloxolan-3-yl)methanamine

(3-tert-butyloxolan-3-yl)methanamine (PubChem CID 83815554) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3-tert-butyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyloxolan-3-yl)methanamine
PubChem CID83815554
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3-tert-butyloxolan-3-yl)methanamine
SMILESCC(C)(C)C1(CN)CCOC1
InChIInChI=1S/C9H19NO/c1-8(2,3)9(6-10)4-5-11-7-9/h4-7,10H2,1-3H3
InChIKeyMEVZUGBLRPCEHY-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 82601558
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-bromophenyl)ethanol
CID 79126820
1-[3-(aminomethyl)oxolan-3-yl]-1-(2-fluorophenyl)propan-1-ol
CID 112680362
1-[4-(aminomethyl)oxan-4-yl]-1-(2-methylphenyl)ethanol
CID 79128669
1-(3-tert-butyloxetan-3-yl)-2-methylpropan-2-amine
CID 116869966
(3S)-3-(aminomethyl)oxolan-3-ol
CID 95305956
3-(aminomethyl)oxolan-3-amine;dihydrochloride
CID 118166236
1-[3-(aminomethyl)oxolan-3-yl]-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112586826
1-[3-(aminomethyl)oxan-3-yl]-1-(2-fluorophenyl)ethanol
CID 113246827
3-(aminomethyl)-N-cyclopropyl-N-propyloxolan-3-amine
CID 63335549
3-(aminomethyl)-N-cyclopropyl-N-(2-methylpropyl)oxolan-3-amine
CID 63335231

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyloxolan-3-yl)methanamine?
The IUPAC name of (3-tert-butyloxolan-3-yl)methanamine (CID 83815554) is (3-tert-butyloxolan-3-yl)methanamine.
What is the SMILES notation for (3-tert-butyloxolan-3-yl)methanamine?
The canonical SMILES for (3-tert-butyloxolan-3-yl)methanamine is CC(C)(C)C1(CN)CCOC1.
What is the InChIKey of (3-tert-butyloxolan-3-yl)methanamine?
The InChIKey is MEVZUGBLRPCEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2,3)9(6-10)4-5-11-7-9/h4-7,10H2,1-3H3.
What are the key properties of (3-tert-butyloxolan-3-yl)methanamine?
(3-tert-butyloxolan-3-yl)methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyloxolan-3-yl)methanamine is sourced from PubChem (CID 83815554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).