N-methyl-N-prop-2-ynylbutan-2-amine

C8H15N — CID 3072560

IUPACN-methyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCN(C)C(C)CC
InChIInChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3
InChIKeyCJRQAPHWCGEATR-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.35
Rot. Bonds3

About N-methyl-N-prop-2-ynylbutan-2-amine

N-methyl-N-prop-2-ynylbutan-2-amine (PubChem CID 3072560) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-methyl-N-prop-2-ynylbutan-2-amine.

Molecular Properties

Compound NameN-methyl-N-prop-2-ynylbutan-2-amine
PubChem CID3072560
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-methyl-N-prop-2-ynylbutan-2-amine
SMILESC#CCN(C)C(C)CC
InChIInChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3
InChIKeyCJRQAPHWCGEATR-UHFFFAOYSA-N
XLogP1.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-ynylbutan-2-amine?
The IUPAC name of N-methyl-N-prop-2-ynylbutan-2-amine (CID 3072560) is N-methyl-N-prop-2-ynylbutan-2-amine.
What is the SMILES notation for N-methyl-N-prop-2-ynylbutan-2-amine?
The canonical SMILES for N-methyl-N-prop-2-ynylbutan-2-amine is C#CCN(C)C(C)CC.
What is the InChIKey of N-methyl-N-prop-2-ynylbutan-2-amine?
The InChIKey is CJRQAPHWCGEATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-5-7-9(4)8(3)6-2/h1,8H,6-7H2,2-4H3.
What are the key properties of N-methyl-N-prop-2-ynylbutan-2-amine?
N-methyl-N-prop-2-ynylbutan-2-amine has a molecular weight of 125.21 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-ynylbutan-2-amine is sourced from PubChem (CID 3072560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).