N-but-3-ynylpyrrolidin-3-amine

C8H14N2 — CID 79741791

IUPACN-but-3-ynylpyrrolidin-3-amine
SMILESC#CCCNC1CCNC1
InChIInChI=1S/C8H14N2/c1-2-3-5-10-8-4-6-9-7-8/h1,8-10H,3-7H2
InChIKeyXWLPAHOWQCZCRF-UHFFFAOYSA-N
MW138.21 g/mol
LogP-0.04
Rot. Bonds3

About N-but-3-ynylpyrrolidin-3-amine

N-but-3-ynylpyrrolidin-3-amine (PubChem CID 79741791) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-but-3-ynylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-but-3-ynylpyrrolidin-3-amine
PubChem CID79741791
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-but-3-ynylpyrrolidin-3-amine
SMILESC#CCCNC1CCNC1
InChIInChI=1S/C8H14N2/c1-2-3-5-10-8-4-6-9-7-8/h1,8-10H,3-7H2
InChIKeyXWLPAHOWQCZCRF-UHFFFAOYSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
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-prop-2-ynylpyrrolidin-3-amine;trihydrochloride
CID 175958246
N-(2-cyclopropylsulfanylethyl)pyrrolidin-3-amine
CID 84660689
N-pyrrolidin-3-ylpent-4-ynamide
CID 103840756
N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 79741324
(3S)-N-butylpyrrolidin-3-amine
CID 154470800
N-(2-cyclopropylsulfonylethyl)pyrrolidin-3-amine
CID 84684022
N-but-3-ynyloxan-4-amine
CID 63655853
N-methyl-2-(pyrrolidin-3-ylamino)ethanesulfonamide
CID 106333768
N-(3-methylsulfonylpropyl)pyrrolidin-3-amine
CID 79747715
N-(cyclopropylmethyl)pyrrolidin-3-amine
CID 53350336
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
N',N'-dimethyl-N-pyrrolidin-3-ylbutane-1,4-diamine
CID 79742043

Frequently Asked Questions

What is the IUPAC name of N-but-3-ynylpyrrolidin-3-amine?
The IUPAC name of N-but-3-ynylpyrrolidin-3-amine (CID 79741791) is N-but-3-ynylpyrrolidin-3-amine.
What is the SMILES notation for N-but-3-ynylpyrrolidin-3-amine?
The canonical SMILES for N-but-3-ynylpyrrolidin-3-amine is C#CCCNC1CCNC1.
What is the InChIKey of N-but-3-ynylpyrrolidin-3-amine?
The InChIKey is XWLPAHOWQCZCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-5-10-8-4-6-9-7-8/h1,8-10H,3-7H2.
What are the key properties of N-but-3-ynylpyrrolidin-3-amine?
N-but-3-ynylpyrrolidin-3-amine has a molecular weight of 138.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-ynylpyrrolidin-3-amine is sourced from PubChem (CID 79741791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).