N-ethyl-2,3-dimethylnon-7-yn-4-amine

C13H25N — CID 105037627

IUPACN-ethyl-2,3-dimethylnon-7-yn-4-amine
SMILESCC#CCCC(NCC)C(C)C(C)C
InChIInChI=1S/C13H25N/c1-6-8-9-10-13(14-7-2)12(5)11(3)4/h11-14H,7,9-10H2,1-5H3
InChIKeyJTYXNIXIHFFPKK-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.06
Rot. Bonds6

About N-ethyl-2,3-dimethylnon-7-yn-4-amine

N-ethyl-2,3-dimethylnon-7-yn-4-amine (PubChem CID 105037627) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-ethyl-2,3-dimethylnon-7-yn-4-amine.

Molecular Properties

Compound NameN-ethyl-2,3-dimethylnon-7-yn-4-amine
PubChem CID105037627
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-ethyl-2,3-dimethylnon-7-yn-4-amine
SMILESCC#CCCC(NCC)C(C)C(C)C
InChIInChI=1S/C13H25N/c1-6-8-9-10-13(14-7-2)12(5)11(3)4/h11-14H,7,9-10H2,1-5H3
InChIKeyJTYXNIXIHFFPKK-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.06
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,3-diethylnon-7-yn-4-amine
CID 105037214
3-ethoxy-N-ethyl-2,2-dimethylnon-7-yn-4-amine
CID 116725712
N-ethyl-3-methyloct-6-yn-2-amine
CID 104811014
N-ethyl-2,3-dimethylundecan-4-amine
CID 115832523
N-ethyl-2,3-dimethyldecan-4-amine
CID 115833855
N-ethyl-1-(4-propan-2-ylcyclohexyl)hex-4-yn-1-amine
CID 104806072
N-ethyl-2,3,6-trimethylnonan-4-amine
CID 115845744
1-(1-adamantyl)-N-ethylhex-4-yn-1-amine
CID 104805387
1-cyclobutyl-N-ethylhex-4-yn-1-amine
CID 104805822
N-ethyl-1-(3-tricyclo[3.2.1.02,4]octanyl)hex-4-yn-1-amine
CID 114097394
6,7-dimethylnon-2-yne
CID 123813434
N-ethyl-1-propoxyoct-6-yn-3-amine
CID 105181429

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3-dimethylnon-7-yn-4-amine?
The IUPAC name of N-ethyl-2,3-dimethylnon-7-yn-4-amine (CID 105037627) is N-ethyl-2,3-dimethylnon-7-yn-4-amine.
What is the SMILES notation for N-ethyl-2,3-dimethylnon-7-yn-4-amine?
The canonical SMILES for N-ethyl-2,3-dimethylnon-7-yn-4-amine is CC#CCCC(NCC)C(C)C(C)C.
What is the InChIKey of N-ethyl-2,3-dimethylnon-7-yn-4-amine?
The InChIKey is JTYXNIXIHFFPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-6-8-9-10-13(14-7-2)12(5)11(3)4/h11-14H,7,9-10H2,1-5H3.
What are the key properties of N-ethyl-2,3-dimethylnon-7-yn-4-amine?
N-ethyl-2,3-dimethylnon-7-yn-4-amine has a molecular weight of 195.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3-dimethylnon-7-yn-4-amine is sourced from PubChem (CID 105037627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).