N-ethyl-5-methyl-N-propylhex-3-yn-2-amine

C12H23N — CID 142317670

IUPACN-ethyl-5-methyl-N-propylhex-3-yn-2-amine
SMILESCCCN(CC)C(C)C#CC(C)C
InChIInChI=1S/C12H23N/c1-6-10-13(7-2)12(5)9-8-11(3)4/h11-12H,6-7,10H2,1-5H3
InChIKeyPKRCXSVEMXUXBE-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.77
Rot. Bonds4

About N-ethyl-5-methyl-N-propylhex-3-yn-2-amine

N-ethyl-5-methyl-N-propylhex-3-yn-2-amine (PubChem CID 142317670) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-propylhex-3-yn-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-propylhex-3-yn-2-amine
PubChem CID142317670
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-ethyl-5-methyl-N-propylhex-3-yn-2-amine
SMILESCCCN(CC)C(C)C#CC(C)C
InChIInChI=1S/C12H23N/c1-6-10-13(7-2)12(5)9-8-11(3)4/h11-12H,6-7,10H2,1-5H3
InChIKeyPKRCXSVEMXUXBE-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
2-N-ethyl-2-N-propylpropane-1,2-diamine
CID 43268522
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
3-N-ethyl-3-N-propylbutane-2,3-diamine
CID 61353173
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N,N,N',N'-tetrapropyl-1-silylmethanediamine
CID 174173151
N,N-diethylpropan-1-amine;methane
CID 144711865
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
N-ethyl-N-propylicosan-2-amine
CID 172693354
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
1-N'-ethyl-1-N'-propylethane-1,1,2-triamine
CID 178182208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-propylhex-3-yn-2-amine?
The IUPAC name of N-ethyl-5-methyl-N-propylhex-3-yn-2-amine (CID 142317670) is N-ethyl-5-methyl-N-propylhex-3-yn-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-propylhex-3-yn-2-amine?
The canonical SMILES for N-ethyl-5-methyl-N-propylhex-3-yn-2-amine is CCCN(CC)C(C)C#CC(C)C.
What is the InChIKey of N-ethyl-5-methyl-N-propylhex-3-yn-2-amine?
The InChIKey is PKRCXSVEMXUXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-10-13(7-2)12(5)9-8-11(3)4/h11-12H,6-7,10H2,1-5H3.
What are the key properties of N-ethyl-5-methyl-N-propylhex-3-yn-2-amine?
N-ethyl-5-methyl-N-propylhex-3-yn-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-propylhex-3-yn-2-amine is sourced from PubChem (CID 142317670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).