N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine

C16H32N2 — CID 166118187

IUPACN'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine
SMILESCCN(CCC(C)C)CCN(C)CC#CC(C)C
InChIInChI=1S/C16H32N2/c1-7-18(12-10-16(4)5)14-13-17(6)11-8-9-15(2)3/h15-16H,7,10-14H2,1-6H3
InChIKeyXECKCLVYIHCOND-UHFFFAOYSA-N
MW252.45 g/mol
LogP2.95
Rot. Bonds8

About N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine

N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine (PubChem CID 166118187) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine
PubChem CID166118187
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine
SMILESCCN(CCC(C)C)CCN(C)CC#CC(C)C
InChIInChI=1S/C16H32N2/c1-7-18(12-10-16(4)5)14-13-17(6)11-8-9-15(2)3/h15-16H,7,10-14H2,1-6H3
InChIKeyXECKCLVYIHCOND-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine
CID 134401021
ethane;N-ethyl-N,3-dimethylbutan-1-amine
CID 143818510
N-ethyl-N'-(2-methylpropyl)-N,N'-dipropylethane-1,2-diamine
CID 123205995
N-methyl-N-(2-methylpropyl)-N',N'-dipropylethane-1,2-diamine
CID 166733537
N-ethyl-3-methyl-N-(2-nitrosoethyl)butan-1-amine
CID 126739586
N'-ethyl-N,N,2,2-tetramethyl-N'-(3-methylbutyl)butane-1,4-diamine
CID 170043277
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N-ethyl-3-methyl-N-(2-methylsulfonylethyl)butan-1-amine
CID 59762109
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N-[2-[2-[bis(4-methylpentyl)amino]ethyl-ethylamino]ethyl]-N,N'-diethyl-N'-[2-[4-methylpentyl(pentyl)amino]ethyl]ethane-1,2-diamine
CID 142586860
N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine (CID 166118187) is N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine is CCN(CCC(C)C)CCN(C)CC#CC(C)C.
What is the InChIKey of N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine?
The InChIKey is XECKCLVYIHCOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-18(12-10-16(4)5)14-13-17(6)11-8-9-15(2)3/h15-16H,7,10-14H2,1-6H3.
What are the key properties of N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine?
N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine has a molecular weight of 252.45 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine is sourced from PubChem (CID 166118187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).