1-methoxy-4,4-dimethylhex-5-yn-3-amine

C9H17NO — CID 87768256

IUPAC1-methoxy-4,4-dimethylhex-5-yn-3-amine
SMILESC#CC(C)(C)C(N)CCOC
InChIInChI=1S/C9H17NO/c1-5-9(2,3)8(10)6-7-11-4/h1,8H,6-7,10H2,2-4H3
InChIKeyYNEKPOIIIATFES-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.01
Rot. Bonds4

About 1-methoxy-4,4-dimethylhex-5-yn-3-amine

1-methoxy-4,4-dimethylhex-5-yn-3-amine (PubChem CID 87768256) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethylhex-5-yn-3-amine.

Molecular Properties

Compound Name1-methoxy-4,4-dimethylhex-5-yn-3-amine
PubChem CID87768256
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-methoxy-4,4-dimethylhex-5-yn-3-amine
SMILESC#CC(C)(C)C(N)CCOC
InChIInChI=1S/C9H17NO/c1-5-9(2,3)8(10)6-7-11-4/h1,8H,6-7,10H2,2-4H3
InChIKeyYNEKPOIIIATFES-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.01
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

(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
N-(4-methoxybutan-2-yl)-2-methylbut-3-yn-2-amine
CID 63998115
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
5-methoxy-3-methylpent-1-yn-3-ol
CID 13304240
7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine
CID 114856218
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
1,3-dimethoxy-3-methylbutan-2-amine
CID 79569539
5-amino-1-methoxy-3-methyloct-7-yn-4-one
CID 116606609
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294
7-methoxy-2,2,5-trimethylhept-3-yne
CID 170609119
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethylhex-5-yn-3-amine?
The IUPAC name of 1-methoxy-4,4-dimethylhex-5-yn-3-amine (CID 87768256) is 1-methoxy-4,4-dimethylhex-5-yn-3-amine.
What is the SMILES notation for 1-methoxy-4,4-dimethylhex-5-yn-3-amine?
The canonical SMILES for 1-methoxy-4,4-dimethylhex-5-yn-3-amine is C#CC(C)(C)C(N)CCOC.
What is the InChIKey of 1-methoxy-4,4-dimethylhex-5-yn-3-amine?
The InChIKey is YNEKPOIIIATFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-9(2,3)8(10)6-7-11-4/h1,8H,6-7,10H2,2-4H3.
What are the key properties of 1-methoxy-4,4-dimethylhex-5-yn-3-amine?
1-methoxy-4,4-dimethylhex-5-yn-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethylhex-5-yn-3-amine is sourced from PubChem (CID 87768256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).