3,3-dimethyl-N-prop-2-ynylbutan-2-amine

C9H17N — CID 115627436

IUPAC3,3-dimethyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCNC(C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-10-8(2)9(3,4)5/h1,8,10H,7H2,2-5H3
InChIKeyGILRFSDBXPTVHI-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.64
Rot. Bonds2

About 3,3-dimethyl-N-prop-2-ynylbutan-2-amine

3,3-dimethyl-N-prop-2-ynylbutan-2-amine (PubChem CID 115627436) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3,3-dimethyl-N-prop-2-ynylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-prop-2-ynylbutan-2-amine
PubChem CID115627436
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3,3-dimethyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCNC(C)C(C)(C)C
InChIInChI=1S/C9H17N/c1-6-7-10-8(2)9(3,4)5/h1,8,10H,7H2,2-5H3
InChIKeyGILRFSDBXPTVHI-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.64
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

N-but-2-ynyl-3,3-dimethylbutan-2-amine
CID 115647758
(2S)-3,3-dimethyl-N-(2-methylpropyl)butan-2-amine
CID 88581583
N-(3,3-dimethylbutan-2-yl)-2-(prop-2-ynylamino)acetamide
CID 104828232
1-methoxy-3-methyl-N-prop-2-ynylbutan-2-amine
CID 65047566
N-(3,3-dimethylbutan-2-yl)-2-ethylbutan-1-amine
CID 115718044
1-(3,3-dimethylbutan-2-ylamino)-3-methylbutan-2-ol
CID 115720483
2,3-dimethyl-2-N-prop-2-ynylbutane-1,2-diamine
CID 65381584
2,3-dimethyl-N-prop-2-ynylbutan-1-amine
CID 64568255
N-(3,3-dimethylbutan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 115719159
(2R)-N-(cyclobutylmethyl)-3,3-dimethylbutan-2-amine
CID 95732956
N-methyl-2-(prop-2-ynylamino)propanamide
CID 43086395
2-N-(3,3-dimethylbutan-2-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62569961

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-prop-2-ynylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-N-prop-2-ynylbutan-2-amine (CID 115627436) is 3,3-dimethyl-N-prop-2-ynylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-prop-2-ynylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-prop-2-ynylbutan-2-amine is C#CCNC(C)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-prop-2-ynylbutan-2-amine?
The InChIKey is GILRFSDBXPTVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-7-10-8(2)9(3,4)5/h1,8,10H,7H2,2-5H3.
What are the key properties of 3,3-dimethyl-N-prop-2-ynylbutan-2-amine?
3,3-dimethyl-N-prop-2-ynylbutan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-prop-2-ynylbutan-2-amine is sourced from PubChem (CID 115627436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).