2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine

C10H20N2O — CID 114416015

IUPAC2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine
SMILESC#CC(C)NC(CN)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-9(3)12-10(6-11)8(2)7-13-4/h1,8-10,12H,6-7,11H2,2-4H3
InChIKeyALTYMEFCBVVKSK-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.21
Rot. Bonds6

About 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine

2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine (PubChem CID 114416015) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine
PubChem CID114416015
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine
SMILESC#CC(C)NC(CN)C(C)COC
InChIInChI=1S/C10H20N2O/c1-5-9(3)12-10(6-11)8(2)7-13-4/h1,8-10,12H,6-7,11H2,2-4H3
InChIKeyALTYMEFCBVVKSK-UHFFFAOYSA-N
XLogP0.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-but-3-yn-2-ylpropane-1,2-diamine
CID 114415976
3-(but-3-yn-2-ylamino)-4-methoxybutan-1-ol
CID 106159690
4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 116501816
2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
2,4-dimethoxy-3-methylbutan-1-amine
CID 116503390
2-N-but-3-yn-2-ylhexane-1,2-diamine
CID 114415959
N-but-3-yn-2-yl-1-(2,4,6-trimethoxyphenyl)ethane-1,2-diamine
CID 114415989
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
2-N-but-3-yn-2-yl-2-(methoxymethyl)-3-methylbutane-1,2-diamine
CID 114416278
N-but-3-yn-2-yl-4-methoxy-3-methylbutanamide
CID 114389809
N-but-3-yn-2-yl-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 114415883
3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile
CID 65049474

Frequently Asked Questions

What is the IUPAC name of 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine (CID 114416015) is 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine is C#CC(C)NC(CN)C(C)COC.
What is the InChIKey of 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine?
The InChIKey is ALTYMEFCBVVKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(3)12-10(6-11)8(2)7-13-4/h1,8-10,12H,6-7,11H2,2-4H3.
What are the key properties of 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine?
2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine has a molecular weight of 184.28 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine is sourced from PubChem (CID 114416015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).