N-but-3-yn-2-ylhex-1-yn-3-amine

C10H15N — CID 106229924

IUPACN-but-3-yn-2-ylhex-1-yn-3-amine
SMILESC#CC(C)NC(C#C)CCC
InChIInChI=1S/C10H15N/c1-5-8-10(7-3)11-9(4)6-2/h2-3,9-11H,5,8H2,1,4H3
InChIKeyAQXUWXTXJZHUHE-UHFFFAOYSA-N
MW149.24 g/mol
LogP1.40
Rot. Bonds4

About N-but-3-yn-2-ylhex-1-yn-3-amine

N-but-3-yn-2-ylhex-1-yn-3-amine (PubChem CID 106229924) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-but-3-yn-2-ylhex-1-yn-3-amine.

Molecular Properties

Compound NameN-but-3-yn-2-ylhex-1-yn-3-amine
PubChem CID106229924
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-but-3-yn-2-ylhex-1-yn-3-amine
SMILESC#CC(C)NC(C#C)CCC
InChIInChI=1S/C10H15N/c1-5-8-10(7-3)11-9(4)6-2/h2-3,9-11H,5,8H2,1,4H3
InChIKeyAQXUWXTXJZHUHE-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pentan-2-ylhex-1-yn-3-amine
CID 106226440
N-hex-1-yn-3-ylheptan-2-amine
CID 106226899
N-(1-methoxypropan-2-yl)hex-1-yn-3-amine
CID 103520528
N-(1-ethoxypropan-2-yl)hex-1-yn-3-amine
CID 107234206
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
CID 103520522
N-[1-(4-chlorophenyl)ethyl]hex-1-yn-3-amine
CID 103520524
N-(2-methylpropyl)hex-1-yn-3-amine
CID 107234224
N-[1-(4-tert-butylphenyl)ethyl]hex-1-yn-3-amine
CID 106226028
2-(hex-1-yn-3-ylamino)-N'-hydroxypropanimidamide
CID 106230925
4-[1-(hex-1-yn-3-ylamino)ethyl]-N,N-dimethylaniline
CID 114160896
2-(hex-1-yn-3-ylamino)butanoic acid
CID 106227356

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-ylhex-1-yn-3-amine?
The IUPAC name of N-but-3-yn-2-ylhex-1-yn-3-amine (CID 106229924) is N-but-3-yn-2-ylhex-1-yn-3-amine.
What is the SMILES notation for N-but-3-yn-2-ylhex-1-yn-3-amine?
The canonical SMILES for N-but-3-yn-2-ylhex-1-yn-3-amine is C#CC(C)NC(C#C)CCC.
What is the InChIKey of N-but-3-yn-2-ylhex-1-yn-3-amine?
The InChIKey is AQXUWXTXJZHUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-8-10(7-3)11-9(4)6-2/h2-3,9-11H,5,8H2,1,4H3.
What are the key properties of N-but-3-yn-2-ylhex-1-yn-3-amine?
N-but-3-yn-2-ylhex-1-yn-3-amine has a molecular weight of 149.24 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-ylhex-1-yn-3-amine is sourced from PubChem (CID 106229924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).