N-(1-methoxypropan-2-yl)hex-1-yn-3-amine

C10H19NO — CID 103520528

IUPACN-(1-methoxypropan-2-yl)hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)COC
InChIInChI=1S/C10H19NO/c1-5-7-10(6-2)11-9(3)8-12-4/h2,9-11H,5,7-8H2,1,3-4H3
InChIKeyFPIWHXNLTWKEIR-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds6

About N-(1-methoxypropan-2-yl)hex-1-yn-3-amine

N-(1-methoxypropan-2-yl)hex-1-yn-3-amine (PubChem CID 103520528) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)hex-1-yn-3-amine
PubChem CID103520528
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(1-methoxypropan-2-yl)hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)COC
InChIInChI=1S/C10H19NO/c1-5-7-10(6-2)11-9(3)8-12-4/h2,9-11H,5,7-8H2,1,3-4H3
InChIKeyFPIWHXNLTWKEIR-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N-(1-ethoxypropan-2-yl)hex-1-yn-3-amine
CID 107234206
N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-but-3-yn-2-ylhex-1-yn-3-amine
CID 106229924
methyl 3-amino-2-(hex-1-yn-3-ylamino)propanoate
CID 106228592
2-(hex-1-yn-3-ylamino)butanoic acid
CID 106227356
N-[1-(2-methoxyethoxy)propan-2-yl]pentan-2-amine
CID 115891937
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
(2S)-N-[(2R)-1-methoxypropan-2-yl]nonan-2-amine
CID 94840789
N-hex-1-yn-3-yl-2-methoxypropanamide
CID 103528920
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)hex-1-yn-3-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)hex-1-yn-3-amine (CID 103520528) is N-(1-methoxypropan-2-yl)hex-1-yn-3-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)hex-1-yn-3-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)hex-1-yn-3-amine is C#CC(CCC)NC(C)COC.
What is the InChIKey of N-(1-methoxypropan-2-yl)hex-1-yn-3-amine?
The InChIKey is FPIWHXNLTWKEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-7-10(6-2)11-9(3)8-12-4/h2,9-11H,5,7-8H2,1,3-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)hex-1-yn-3-amine?
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)hex-1-yn-3-amine is sourced from PubChem (CID 103520528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).