1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine

C12H24N2 — CID 134401021

IUPAC1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine
SMILESCCC(N)CCN(C)CC#CC(C)C
InChIInChI=1S/C12H24N2/c1-5-12(13)8-10-14(4)9-6-7-11(2)3/h11-12H,5,8-10,13H2,1-4H3
InChIKeyQOUTYQSTFCRWNV-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.71
Rot. Bonds5

About 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine

1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine (PubChem CID 134401021) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine
PubChem CID134401021
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine
SMILESCCC(N)CCN(C)CC#CC(C)C
InChIInChI=1S/C12H24N2/c1-5-12(13)8-10-14(4)9-6-7-11(2)3/h11-12H,5,8-10,13H2,1-4H3
InChIKeyQOUTYQSTFCRWNV-UHFFFAOYSA-N
XLogP1.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-methyl-N'-(3-methylbutyl)-N-(4-methylpent-2-ynyl)ethane-1,2-diamine
CID 166118187
2-[3-aminohexyl(methyl)amino]acetonitrile
CID 130305362
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpentane-1,3-diamine
CID 103189525
4-[but-2-ynyl(methyl)amino]butan-2-ol
CID 115665847
tetradecane-3,6,9,12-tetramine
CID 140993886
ethane;hexan-3-amine;methane
CID 145152462
ethane;hexan-3-amine
CID 143616305
1-N,1-N-diethylhexane-1,4-diamine
CID 86612309
tetradecan-3-amine;hydrobromide
CID 173393490
2-methyloctane-3,6-diamine
CID 88683394
1-N-methyl-1-N-(3-methylbutyl)hexane-1,2-diamine
CID 61428857
non-7-yn-3-amine
CID 64503451

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine?
The IUPAC name of 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine (CID 134401021) is 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine?
The canonical SMILES for 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine is CCC(N)CCN(C)CC#CC(C)C.
What is the InChIKey of 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine?
The InChIKey is QOUTYQSTFCRWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-12(13)8-10-14(4)9-6-7-11(2)3/h11-12H,5,8-10,13H2,1-4H3.
What are the key properties of 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine?
1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(4-methylpent-2-ynyl)pentane-1,3-diamine is sourced from PubChem (CID 134401021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).