N-ethyl-5-methylhept-1-yn-4-amine

C10H19N — CID 63717234

IUPACN-ethyl-5-methylhept-1-yn-4-amine
SMILESC#CCC(NCC)C(C)CC
InChIInChI=1S/C10H19N/c1-5-8-10(11-7-3)9(4)6-2/h1,9-11H,6-8H2,2-4H3
InChIKeyXUIHABGWKVGBPY-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds5

About N-ethyl-5-methylhept-1-yn-4-amine

N-ethyl-5-methylhept-1-yn-4-amine (PubChem CID 63717234) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-ethyl-5-methylhept-1-yn-4-amine.

Molecular Properties

Compound NameN-ethyl-5-methylhept-1-yn-4-amine
PubChem CID63717234
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-ethyl-5-methylhept-1-yn-4-amine
SMILESC#CCC(NCC)C(C)CC
InChIInChI=1S/C10H19N/c1-5-8-10(11-7-3)9(4)6-2/h1,9-11H,6-8H2,2-4H3
InChIKeyXUIHABGWKVGBPY-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
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-ethyl-5-methylhept-1-yn-4-amine?
The IUPAC name of N-ethyl-5-methylhept-1-yn-4-amine (CID 63717234) is N-ethyl-5-methylhept-1-yn-4-amine.
What is the SMILES notation for N-ethyl-5-methylhept-1-yn-4-amine?
The canonical SMILES for N-ethyl-5-methylhept-1-yn-4-amine is C#CCC(NCC)C(C)CC.
What is the InChIKey of N-ethyl-5-methylhept-1-yn-4-amine?
The InChIKey is XUIHABGWKVGBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-5-8-10(11-7-3)9(4)6-2/h1,9-11H,6-8H2,2-4H3.
What are the key properties of N-ethyl-5-methylhept-1-yn-4-amine?
N-ethyl-5-methylhept-1-yn-4-amine has a molecular weight of 153.27 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylhept-1-yn-4-amine is sourced from PubChem (CID 63717234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).