2-(2-propan-2-yloxan-4-yl)propan-1-amine

C11H23NO — CID 83906955

IUPAC2-(2-propan-2-yloxan-4-yl)propan-1-amine
SMILESCC(C)C1CC(C(C)CN)CCO1
InChIInChI=1S/C11H23NO/c1-8(2)11-6-10(4-5-13-11)9(3)7-12/h8-11H,4-7,12H2,1-3H3
InChIKeyRBOMHOIAKOYSMO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-propan-2-yloxan-4-yl)propan-1-amine

2-(2-propan-2-yloxan-4-yl)propan-1-amine (PubChem CID 83906955) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(2-propan-2-yloxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2-propan-2-yloxan-4-yl)propan-1-amine
PubChem CID83906955
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(2-propan-2-yloxan-4-yl)propan-1-amine
SMILESCC(C)C1CC(C(C)CN)CCO1
InChIInChI=1S/C11H23NO/c1-8(2)11-6-10(4-5-13-11)9(3)7-12/h8-11H,4-7,12H2,1-3H3
InChIKeyRBOMHOIAKOYSMO-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
2-methylpropane;4-methyl-2-propan-2-yloxane
CID 145025500
[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
CID 97010857
2-propan-2-yloxane-4-carbothioamide
CID 12798670
N'-methyl-N'-(2-propan-2-yloxan-4-yl)propane-1,3-diamine
CID 115318806
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
2-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)propan-1-amine
CID 83906614
2-(3-iodocyclooctyl)propan-1-amine
CID 170074117
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056
4-N-ethyl-4-N-(2-propan-2-yloxan-4-yl)cyclohexane-1,4-diamine
CID 79116171
(2R)-2-(1,3-dioxan-2-yl)propan-1-amine
CID 94252080
(2S,4R)-2-methyl-4-propan-2-yloxane
CID 177186832

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxan-4-yl)propan-1-amine?
The IUPAC name of 2-(2-propan-2-yloxan-4-yl)propan-1-amine (CID 83906955) is 2-(2-propan-2-yloxan-4-yl)propan-1-amine.
What is the SMILES notation for 2-(2-propan-2-yloxan-4-yl)propan-1-amine?
The canonical SMILES for 2-(2-propan-2-yloxan-4-yl)propan-1-amine is CC(C)C1CC(C(C)CN)CCO1.
What is the InChIKey of 2-(2-propan-2-yloxan-4-yl)propan-1-amine?
The InChIKey is RBOMHOIAKOYSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(2)11-6-10(4-5-13-11)9(3)7-12/h8-11H,4-7,12H2,1-3H3.
What are the key properties of 2-(2-propan-2-yloxan-4-yl)propan-1-amine?
2-(2-propan-2-yloxan-4-yl)propan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxan-4-yl)propan-1-amine is sourced from PubChem (CID 83906955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).