N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine

C13H25NO — CID 115723603

IUPACN-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
SMILESC#CCC(CC)NC(C)CC(C)(C)OC
InChIInChI=1S/C13H25NO/c1-7-9-12(8-2)14-11(3)10-13(4,5)15-6/h1,11-12,14H,8-10H2,2-6H3
InChIKeyHWGKOMUTTWEULN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds7

About N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine

N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine (PubChem CID 115723603) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
PubChem CID115723603
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
SMILESC#CCC(CC)NC(C)CC(C)(C)OC
InChIInChI=1S/C13H25NO/c1-7-9-12(8-2)14-11(3)10-13(4,5)15-6/h1,11-12,14H,8-10H2,2-6H3
InChIKeyHWGKOMUTTWEULN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
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

(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
CID 115723627
N-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
N-ethylhex-5-yn-3-amine
CID 62233887
N-(1-cyclopropylpropyl)-4-methoxy-4-methylpentan-2-amine
CID 115724125
N-[1-(4-chlorophenyl)propan-2-yl]hex-5-yn-3-amine
CID 103910959
N-hex-5-yn-3-ylheptan-3-amine
CID 115723674
2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945735
[(2R)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 29014952
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700

Frequently Asked Questions

What is the IUPAC name of N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine (CID 115723603) is N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine is C#CCC(CC)NC(C)CC(C)(C)OC.
What is the InChIKey of N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine?
The InChIKey is HWGKOMUTTWEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-7-9-12(8-2)14-11(3)10-13(4,5)15-6/h1,11-12,14H,8-10H2,2-6H3.
What are the key properties of N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine?
N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 115723603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).