N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine

C10H19NO — CID 63998115

IUPACN-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)CCOC
InChIInChI=1S/C10H19NO/c1-6-10(3,4)11-9(2)7-8-12-5/h1,9,11H,7-8H2,2-5H3
InChIKeyQVAXWQUCOQTWKD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine

N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine (PubChem CID 63998115) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
PubChem CID63998115
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
SMILESC#CC(C)(C)NC(C)CCOC
InChIInChI=1S/C10H19NO/c1-6-10(3,4)11-9(2)7-8-12-5/h1,9,11H,7-8H2,2-5H3
InChIKeyQVAXWQUCOQTWKD-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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

2-(4-methoxybutan-2-ylamino)-2-methylpropan-1-ol
CID 115595179
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106185432
N-(4-methoxybutan-2-yl)-2-methylpentan-2-amine
CID 115920019
2-(hydroxymethyl)-2-(4-methoxybutan-2-ylamino)propane-1,3-diol
CID 107850471
N-(2-cyclopropylpropan-2-yl)-4-methoxybutan-2-amine
CID 103931910
5-methoxy-4-N-(2-methylbut-3-yn-2-yl)pentane-1,4-diamine
CID 103390012
3-methoxy-2-(2-methylbut-3-yn-2-ylamino)propanoic acid
CID 103252045
1-methoxy-4,4-dimethylhex-5-yn-3-amine
CID 87768256
N-(4-methoxybutan-2-yl)-2,2,4-trimethylpentan-1-amine
CID 115892877
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717
4-methoxy-N-(2-prop-2-ynylsulfanylethyl)butan-2-amine
CID 115891473
3-(4-methoxybutan-2-ylamino)-2-methylpropane-1,2-diol
CID 66168803

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine (CID 63998115) is N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine is C#CC(C)(C)NC(C)CCOC.
What is the InChIKey of N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine?
The InChIKey is QVAXWQUCOQTWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-6-10(3,4)11-9(2)7-8-12-5/h1,9,11H,7-8H2,2-5H3.
What are the key properties of N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine?
N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine is sourced from PubChem (CID 63998115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).