N-but-2-ynyl-3-methylpyrrolidin-3-amine

C9H16N2 — CID 107424050

IUPACN-but-2-ynyl-3-methylpyrrolidin-3-amine
SMILESCC#CCNC1(C)CCNC1
InChIInChI=1S/C9H16N2/c1-3-4-6-11-9(2)5-7-10-8-9/h10-11H,5-8H2,1-2H3
InChIKeyDHBVZKYZLQZATF-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.35
Rot. Bonds2

About N-but-2-ynyl-3-methylpyrrolidin-3-amine

N-but-2-ynyl-3-methylpyrrolidin-3-amine (PubChem CID 107424050) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-but-2-ynyl-3-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-but-2-ynyl-3-methylpyrrolidin-3-amine
PubChem CID107424050
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-but-2-ynyl-3-methylpyrrolidin-3-amine
SMILESCC#CCNC1(C)CCNC1
InChIInChI=1S/C9H16N2/c1-3-4-6-11-9(2)5-7-10-8-9/h10-11H,5-8H2,1-2H3
InChIKeyDHBVZKYZLQZATF-UHFFFAOYSA-N
XLogP0.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
3-methyl-N-(3-phenylprop-2-ynyl)pyrrolidin-3-amine
CID 107423580
3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428
5-[(3-methylpyrrolidin-3-yl)amino]pentan-1-ol
CID 107424334
N-(3-methoxy-3-methylbutyl)-3-methylpyrrolidin-3-amine
CID 107423458
N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine
CID 107424198
3-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyrrolidin-3-amine
CID 107424430
N-[(3,5-difluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107424600
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
CID 107424033
3-methyl-N-[(5-methyloxolan-2-yl)methyl]pyrrolidin-3-amine
CID 107424747

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-3-methylpyrrolidin-3-amine?
The IUPAC name of N-but-2-ynyl-3-methylpyrrolidin-3-amine (CID 107424050) is N-but-2-ynyl-3-methylpyrrolidin-3-amine.
What is the SMILES notation for N-but-2-ynyl-3-methylpyrrolidin-3-amine?
The canonical SMILES for N-but-2-ynyl-3-methylpyrrolidin-3-amine is CC#CCNC1(C)CCNC1.
What is the InChIKey of N-but-2-ynyl-3-methylpyrrolidin-3-amine?
The InChIKey is DHBVZKYZLQZATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-3-4-6-11-9(2)5-7-10-8-9/h10-11H,5-8H2,1-2H3.
What are the key properties of N-but-2-ynyl-3-methylpyrrolidin-3-amine?
N-but-2-ynyl-3-methylpyrrolidin-3-amine has a molecular weight of 152.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-3-methylpyrrolidin-3-amine is sourced from PubChem (CID 107424050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).