3-methyl-N-propan-2-yloxan-4-amine

C9H19NO — CID 71633062

IUPAC3-methyl-N-propan-2-yloxan-4-amine
SMILESCC(C)NC1CCOCC1C
InChIInChI=1S/C9H19NO/c1-7(2)10-9-4-5-11-6-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyBPJMAAFYTJNFIA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds2

About 3-methyl-N-propan-2-yloxan-4-amine

3-methyl-N-propan-2-yloxan-4-amine (PubChem CID 71633062) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methyl-N-propan-2-yloxan-4-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-yloxan-4-amine
PubChem CID71633062
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methyl-N-propan-2-yloxan-4-amine
SMILESCC(C)NC1CCOCC1C
InChIInChI=1S/C9H19NO/c1-7(2)10-9-4-5-11-6-8(9)3/h7-10H,4-6H2,1-3H3
InChIKeyBPJMAAFYTJNFIA-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-N-propan-2-yloxane-3,4-diamine
CID 71741908
(2S)-2-amino-N-(3-methyloxan-4-yl)propanamide
CID 130491694
N-(3-methyloxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 114075327
(3S,4S)-4-(propan-2-ylamino)oxolan-3-ol
CID 93383484
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
CID 91798255
4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
CID 164651094
4-methyl-3-[1-(oxolan-2-yl)ethyl]oxane
CID 57291053
N-propan-2-yloxetan-3-amine
CID 53393300
3-[(4-chlorophenyl)methyl]-N-propan-2-yloxan-4-amine
CID 71633070

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-yloxan-4-amine?
The IUPAC name of 3-methyl-N-propan-2-yloxan-4-amine (CID 71633062) is 3-methyl-N-propan-2-yloxan-4-amine.
What is the SMILES notation for 3-methyl-N-propan-2-yloxan-4-amine?
The canonical SMILES for 3-methyl-N-propan-2-yloxan-4-amine is CC(C)NC1CCOCC1C.
What is the InChIKey of 3-methyl-N-propan-2-yloxan-4-amine?
The InChIKey is BPJMAAFYTJNFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-9-4-5-11-6-8(9)3/h7-10H,4-6H2,1-3H3.
What are the key properties of 3-methyl-N-propan-2-yloxan-4-amine?
3-methyl-N-propan-2-yloxan-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-yloxan-4-amine is sourced from PubChem (CID 71633062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).