4-N-propan-2-yloxane-3,4-diamine

C8H18N2O — CID 71741908

IUPAC4-N-propan-2-yloxane-3,4-diamine
SMILESCC(C)NC1CCOCC1N
InChIInChI=1S/C8H18N2O/c1-6(2)10-8-3-4-11-5-7(8)9/h6-8,10H,3-5,9H2,1-2H3
InChIKeyBNJQGARJJPFWFU-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.10
Rot. Bonds2

About 4-N-propan-2-yloxane-3,4-diamine

4-N-propan-2-yloxane-3,4-diamine (PubChem CID 71741908) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-N-propan-2-yloxane-3,4-diamine.

Molecular Properties

Compound Name4-N-propan-2-yloxane-3,4-diamine
PubChem CID71741908
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name4-N-propan-2-yloxane-3,4-diamine
SMILESCC(C)NC1CCOCC1N
InChIInChI=1S/C8H18N2O/c1-6(2)10-8-3-4-11-5-7(8)9/h6-8,10H,3-5,9H2,1-2H3
InChIKeyBNJQGARJJPFWFU-UHFFFAOYSA-N
XLogP0.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
N-(3-aminooxan-4-yl)acetamide
CID 83619330
3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 71633070
(3R,4S)-4-fluorooxan-3-amine
CID 86337690
(3S,4S)-3-[(3-fluorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 97175070
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
CID 103058880
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
N-but-3-yn-2-yl-3-methyloxan-4-amine
CID 130491339
3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
CID 130635598

Frequently Asked Questions

What is the IUPAC name of 4-N-propan-2-yloxane-3,4-diamine?
The IUPAC name of 4-N-propan-2-yloxane-3,4-diamine (CID 71741908) is 4-N-propan-2-yloxane-3,4-diamine.
What is the SMILES notation for 4-N-propan-2-yloxane-3,4-diamine?
The canonical SMILES for 4-N-propan-2-yloxane-3,4-diamine is CC(C)NC1CCOCC1N.
What is the InChIKey of 4-N-propan-2-yloxane-3,4-diamine?
The InChIKey is BNJQGARJJPFWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)10-8-3-4-11-5-7(8)9/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of 4-N-propan-2-yloxane-3,4-diamine?
4-N-propan-2-yloxane-3,4-diamine has a molecular weight of 158.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propan-2-yloxane-3,4-diamine is sourced from PubChem (CID 71741908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).