N-but-3-yn-2-yl-3-methyloxan-4-amine

C10H17NO — CID 130491339

IUPACN-but-3-yn-2-yl-3-methyloxan-4-amine
SMILESC#CC(C)NC1CCOCC1C
InChIInChI=1S/C10H17NO/c1-4-9(3)11-10-5-6-12-7-8(10)2/h1,8-11H,5-7H2,2-3H3
InChIKeyJWTHJHJTXFAZJR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.02
Rot. Bonds2

About N-but-3-yn-2-yl-3-methyloxan-4-amine

N-but-3-yn-2-yl-3-methyloxan-4-amine (PubChem CID 130491339) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-methyloxan-4-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-methyloxan-4-amine
PubChem CID130491339
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-but-3-yn-2-yl-3-methyloxan-4-amine
SMILESC#CC(C)NC1CCOCC1C
InChIInChI=1S/C10H17NO/c1-4-9(3)11-10-5-6-12-7-8(10)2/h1,8-11H,5-7H2,2-3H3
InChIKeyJWTHJHJTXFAZJR-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-propan-2-yloxan-4-amine
CID 71633062
3-methyl-N-(1,1,1-trifluoropropan-2-yl)oxan-4-amine
CID 130635598
N-ethyl-1-(3-methyloxan-4-yl)prop-2-yn-1-amine
CID 130492029
(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
N'-(3-methyloxan-4-yl)ethane-1,2-diamine
CID 130491324
4-(but-3-yn-2-ylamino)cyclohexan-1-ol
CID 106595269
4-N-propan-2-yloxane-3,4-diamine
CID 71741908
4-methyl-N-(3-methylbutan-2-yl)oxolan-3-amine
CID 164651094
2-(3-methyloxan-4-yl)propan-1-amine
CID 83905272
2-[(3-methyloxan-4-yl)amino]acetamide
CID 130173773
3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 114240872

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-methyloxan-4-amine?
The IUPAC name of N-but-3-yn-2-yl-3-methyloxan-4-amine (CID 130491339) is N-but-3-yn-2-yl-3-methyloxan-4-amine.
What is the SMILES notation for N-but-3-yn-2-yl-3-methyloxan-4-amine?
The canonical SMILES for N-but-3-yn-2-yl-3-methyloxan-4-amine is C#CC(C)NC1CCOCC1C.
What is the InChIKey of N-but-3-yn-2-yl-3-methyloxan-4-amine?
The InChIKey is JWTHJHJTXFAZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-9(3)11-10-5-6-12-7-8(10)2/h1,8-11H,5-7H2,2-3H3.
What are the key properties of N-but-3-yn-2-yl-3-methyloxan-4-amine?
N-but-3-yn-2-yl-3-methyloxan-4-amine has a molecular weight of 167.25 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-methyloxan-4-amine is sourced from PubChem (CID 130491339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).