N-but-3-ynyl-N-methylpentan-3-amine

C10H19N — CID 63657244

IUPACN-but-3-ynyl-N-methylpentan-3-amine
SMILESC#CCCN(C)C(CC)CC
InChIInChI=1S/C10H19N/c1-5-8-9-11(4)10(6-2)7-3/h1,10H,6-9H2,2-4H3
InChIKeyZGDBKCDPGZWQDZ-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds5

About N-but-3-ynyl-N-methylpentan-3-amine

N-but-3-ynyl-N-methylpentan-3-amine (PubChem CID 63657244) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-but-3-ynyl-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-but-3-ynyl-N-methylpentan-3-amine
PubChem CID63657244
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-but-3-ynyl-N-methylpentan-3-amine
SMILESC#CCCN(C)C(CC)CC
InChIInChI=1S/C10H19N/c1-5-8-9-11(4)10(6-2)7-3/h1,10H,6-9H2,2-4H3
InChIKeyZGDBKCDPGZWQDZ-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-ynyl-N-methylpentan-3-amine?
The IUPAC name of N-but-3-ynyl-N-methylpentan-3-amine (CID 63657244) is N-but-3-ynyl-N-methylpentan-3-amine.
What is the SMILES notation for N-but-3-ynyl-N-methylpentan-3-amine?
The canonical SMILES for N-but-3-ynyl-N-methylpentan-3-amine is C#CCCN(C)C(CC)CC.
What is the InChIKey of N-but-3-ynyl-N-methylpentan-3-amine?
The InChIKey is ZGDBKCDPGZWQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-9-11(4)10(6-2)7-3/h1,10H,6-9H2,2-4H3.
What are the key properties of N-but-3-ynyl-N-methylpentan-3-amine?
N-but-3-ynyl-N-methylpentan-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynyl-N-methylpentan-3-amine is sourced from PubChem (CID 63657244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).