5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine

C12H22N2 — CID 79069114

IUPAC5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine
SMILESC#CCC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C12H22N2/c1-4-8-11(13)12(3,5-2)14-9-6-7-10-14/h1,11H,5-10,13H2,2-3H3
InChIKeyAGSZBTBEIJEWSZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.60
Rot. Bonds4

About 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine

5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine (PubChem CID 79069114) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine.

Molecular Properties

Compound Name5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine
PubChem CID79069114
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine
SMILESC#CCC(N)C(C)(CC)N1CCCC1
InChIInChI=1S/C12H22N2/c1-4-8-11(13)12(3,5-2)14-9-6-7-10-14/h1,11H,5-10,13H2,2-3H3
InChIKeyAGSZBTBEIJEWSZ-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 79064843
2,2,4-trimethyl-4-piperidin-1-ylhexan-3-amine
CID 79064997
3-methyl-3-piperidin-1-yloct-7-yn-4-ol
CID 79065810
5-methyl-1-methylsulfonyl-5-pyrrolidin-1-ylheptan-4-amine
CID 79068795
ethyl 2-amino-3-methyl-3-piperidin-1-ylpentanoate
CID 102538625
3-N,3-N-diethyl-3-methylhept-6-yne-3,4-diamine
CID 79068904
(3-methyl-3-piperidin-1-ylnon-8-yn-4-yl)hydrazine
CID 105241347
3-methyl-3-pyrrolidin-1-yl-1-thiophen-2-ylpentan-2-amine
CID 79068401
3-methyl-1-pyridin-2-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 79068478
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
1-(1-ethylpyrazol-4-yl)-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069573
2-methyl-1-(4-methylcyclohexyl)-2-piperidin-1-ylbutan-1-amine
CID 79065521

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine?
The IUPAC name of 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine (CID 79069114) is 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine.
What is the SMILES notation for 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine?
The canonical SMILES for 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine is C#CCC(N)C(C)(CC)N1CCCC1.
What is the InChIKey of 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine?
The InChIKey is AGSZBTBEIJEWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-8-11(13)12(3,5-2)14-9-6-7-10-14/h1,11H,5-10,13H2,2-3H3.
What are the key properties of 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine?
5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine has a molecular weight of 194.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-pyrrolidin-1-ylhept-1-yn-4-amine is sourced from PubChem (CID 79069114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).