N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine

C11H25N3 — CID 116949101

IUPACN,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCNC(C1CCN(C)C1)C(C)(C)CN
InChIInChI=1S/C11H25N3/c1-11(2,8-12)10(13-3)9-5-6-14(4)7-9/h9-10,13H,5-8,12H2,1-4H3
InChIKeyGKHLOILYAKTXOW-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.51
Rot. Bonds4

About N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine

N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine (PubChem CID 116949101) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
PubChem CID116949101
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
SMILESCNC(C1CCN(C)C1)C(C)(C)CN
InChIInChI=1S/C11H25N3/c1-11(2,8-12)10(13-3)9-5-6-14(4)7-9/h9-10,13H,5-8,12H2,1-4H3
InChIKeyGKHLOILYAKTXOW-UHFFFAOYSA-N
XLogP0.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-4-(methylamino)-4-(1-methylpiperidin-4-yl)butanoic acid
CID 116953587
1-N,2-N,2-trimethyl-1-(1-methylpiperidin-3-yl)propane-1,2-diamine
CID 116954118
3-[(3R)-2,2-dimethylpentan-3-yl]-1-methylpyrrolidine
CID 139460270
[1-(aminomethyl)cyclobutyl]-(1-methylpyrrolidin-3-yl)methanamine
CID 116943914
1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116952260
methylamino-(1-methylpiperidin-4-yl)methanethiol
CID 116954601
1-N,3-dimethyl-1-(1-methylpiperidin-3-yl)butane-1,3-diamine
CID 116949236
N'-cyclopentyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237125
N'-cyclobutyl-1-(1-methylpyrrolidin-3-yl)ethane-1,2-diamine
CID 117237112
2-(methylamino)-2-(1-methylpyrrolidin-3-yl)acetonitrile
CID 116955072
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
1-(azetidin-3-yl)-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 116950852

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
The IUPAC name of N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine (CID 116949101) is N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine.
What is the SMILES notation for N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
The canonical SMILES for N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine is CNC(C1CCN(C)C1)C(C)(C)CN.
What is the InChIKey of N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
The InChIKey is GKHLOILYAKTXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-11(2,8-12)10(13-3)9-5-6-14(4)7-9/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine?
N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-1-(1-methylpyrrolidin-3-yl)propane-1,3-diamine is sourced from PubChem (CID 116949101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).