2-cyclopropylhex-5-yn-3-amine

C9H15N — CID 114977736

IUPAC2-cyclopropylhex-5-yn-3-amine
SMILESC#CCC(N)C(C)C1CC1
InChIInChI=1S/C9H15N/c1-3-4-9(10)7(2)8-5-6-8/h1,7-9H,4-6,10H2,2H3
InChIKeyRAYIMIFHPWXUMF-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.38
Rot. Bonds3

About 2-cyclopropylhex-5-yn-3-amine

2-cyclopropylhex-5-yn-3-amine (PubChem CID 114977736) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-cyclopropylhex-5-yn-3-amine.

Molecular Properties

Compound Name2-cyclopropylhex-5-yn-3-amine
PubChem CID114977736
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-cyclopropylhex-5-yn-3-amine
SMILESC#CCC(N)C(C)C1CC1
InChIInChI=1S/C9H15N/c1-3-4-9(10)7(2)8-5-6-8/h1,7-9H,4-6,10H2,2H3
InChIKeyRAYIMIFHPWXUMF-UHFFFAOYSA-N
XLogP1.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.38
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

2-cyclohexylhex-5-yn-3-amine
CID 18402523
1-cyclopropyl-N-methylbut-3-yn-1-amine
CID 62234254
2-cyclohexylpentan-3-amine
CID 79308576
2-cyclopropyltridecan-3-amine
CID 115845964
2-cyclopropyldecan-3-amine
CID 115832316
2-cyclopropylundecan-3-amine
CID 115835648
N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
CID 115763360
methyl (2S)-2-cyclohexylpent-4-ynoate
CID 58939028
2-cyclopropyloct-7-yn-3-ylhydrazine
CID 105333373
2-ethoxyhex-5-yn-3-amine
CID 64539239
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-yn-1-amine
CID 112681095
N-pent-4-yn-2-ylthian-4-amine
CID 115725201

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylhex-5-yn-3-amine?
The IUPAC name of 2-cyclopropylhex-5-yn-3-amine (CID 114977736) is 2-cyclopropylhex-5-yn-3-amine.
What is the SMILES notation for 2-cyclopropylhex-5-yn-3-amine?
The canonical SMILES for 2-cyclopropylhex-5-yn-3-amine is C#CCC(N)C(C)C1CC1.
What is the InChIKey of 2-cyclopropylhex-5-yn-3-amine?
The InChIKey is RAYIMIFHPWXUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-9(10)7(2)8-5-6-8/h1,7-9H,4-6,10H2,2H3.
What are the key properties of 2-cyclopropylhex-5-yn-3-amine?
2-cyclopropylhex-5-yn-3-amine has a molecular weight of 137.23 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylhex-5-yn-3-amine is sourced from PubChem (CID 114977736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).