N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine

C10H20N2 — CID 62560907

IUPACN'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)C(C)CC
InChIInChI=1S/C10H20N2/c1-5-7-11-8-9-12(4)10(3)6-2/h1,10-11H,6-9H2,2-4H3
InChIKeyYMBHAPLYXARUGB-UHFFFAOYSA-N
MW168.28 g/mol
LogP0.94
Rot. Bonds6

About N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine (PubChem CID 62560907) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
PubChem CID62560907
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine
SMILESC#CCNCCN(C)C(C)CC
InChIInChI=1S/C10H20N2/c1-5-7-11-8-9-12(4)10(3)6-2/h1,10-11H,6-9H2,2-4H3
InChIKeyYMBHAPLYXARUGB-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-butan-2-yl-N'-ethyl-N-prop-2-ynylethane-1,2-diamine
CID 62560910
N'-butan-2-yl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62559232
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
N-methyl-N-prop-2-ynylbutan-2-amine
CID 3072560
(2S)-N-methyl-N-prop-2-ynylbutan-2-amine
CID 15688751
N,N'-di(butan-2-yl)-N'-methylethane-1,2-diamine
CID 60852501
N-methyl-N-prop-2-ynylbutan-2-amine;hydrochloride
CID 3072559
2-N-(2-methoxyethyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569259
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-prop-2-ynylethane-1,2-diamine
CID 63726172
N'-methyl-N'-pentyl-N-prop-2-ynylethane-1,2-diamine
CID 62559632
2-N-(3-methoxypropyl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 63008518

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine (CID 62560907) is N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine is C#CCNCCN(C)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
The InChIKey is YMBHAPLYXARUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7-11-8-9-12(4)10(3)6-2/h1,10-11H,6-9H2,2-4H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine has a molecular weight of 168.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-methyl-N-prop-2-ynylethane-1,2-diamine is sourced from PubChem (CID 62560907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).