N-but-2-ynyl-3,3-dimethylbutan-2-amine

C10H19N — CID 115647758

IUPACN-but-2-ynyl-3,3-dimethylbutan-2-amine
SMILESCC#CCNC(C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-6-7-8-11-9(2)10(3,4)5/h9,11H,8H2,1-5H3
InChIKeyLTBQGVLYFMXDJS-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds2

About N-but-2-ynyl-3,3-dimethylbutan-2-amine

N-but-2-ynyl-3,3-dimethylbutan-2-amine (PubChem CID 115647758) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-but-2-ynyl-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-but-2-ynyl-3,3-dimethylbutan-2-amine
PubChem CID115647758
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-but-2-ynyl-3,3-dimethylbutan-2-amine
SMILESCC#CCNC(C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-6-7-8-11-9(2)10(3,4)5/h9,11H,8H2,1-5H3
InChIKeyLTBQGVLYFMXDJS-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
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

3,3-dimethyl-N-prop-2-ynylbutan-2-amine
CID 115627436
(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
2-(but-2-ynylamino)-3-methylbutan-1-ol
CID 79249561
N-but-2-ynyl-4,4,4-trifluorobutan-2-amine
CID 103905896
N-but-2-ynyl-4-methylpentan-2-amine
CID 62310142
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
3-(but-2-ynylamino)butanenitrile
CID 115865734
N-but-2-ynyl-3-ethylpentan-2-amine
CID 63836344
3-[(3,3-dimethylbutan-2-ylamino)methyl]-3-methylpentan-2-ol
CID 115895943
2-(but-2-ynylamino)propanamide
CID 62311148
N-but-2-ynyl-4-methyl-4-phenylpentan-2-amine
CID 115906615

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-3,3-dimethylbutan-2-amine?
The IUPAC name of N-but-2-ynyl-3,3-dimethylbutan-2-amine (CID 115647758) is N-but-2-ynyl-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-but-2-ynyl-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-but-2-ynyl-3,3-dimethylbutan-2-amine is CC#CCNC(C)C(C)(C)C.
What is the InChIKey of N-but-2-ynyl-3,3-dimethylbutan-2-amine?
The InChIKey is LTBQGVLYFMXDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-7-8-11-9(2)10(3,4)5/h9,11H,8H2,1-5H3.
What are the key properties of N-but-2-ynyl-3,3-dimethylbutan-2-amine?
N-but-2-ynyl-3,3-dimethylbutan-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 115647758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).