N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine

C11H25N3 — CID 115202508

IUPACN,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
SMILESCC(CCN)CN(C)C1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-10(4-6-12)8-14(3)11-5-7-13(2)9-11/h10-11H,4-9,12H2,1-3H3
InChIKeyXQZNTIVNRLZPHO-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.61
Rot. Bonds5

About N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine

N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine (PubChem CID 115202508) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
PubChem CID115202508
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
SMILESCC(CCN)CN(C)C1CCN(C)C1
InChIInChI=1S/C11H25N3/c1-10(4-6-12)8-14(3)11-5-7-13(2)9-11/h10-11H,4-9,12H2,1-3H3
InChIKeyXQZNTIVNRLZPHO-UHFFFAOYSA-N
XLogP0.61
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Butylpyrrolidin-3-yl)methanamine
CID 24275255
2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
3-(Diethylamino)pyrrolidine
CID 19961995
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
1-(Cyclopropylmethyl)pyrrolidin-3-amine
CID 16244565
(1-(Propan-2-yl)pyrrolidin-3-yl)methanamine
CID 21978903
(1-Tert-butylpyrrolidin-3-yl)methanamine
CID 24275282
(1-Ethylpyrrolidin-3-yl)methanamine
CID 15028164
1-Methylpyrrolidin-3-amine
CID 18940396
3-Methyl-2-(pyrrolidin-1-yl)butan-1-amine
CID 43176112

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
The IUPAC name of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine (CID 115202508) is N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
The canonical SMILES for N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine is CC(CCN)CN(C)C1CCN(C)C1.
What is the InChIKey of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
The InChIKey is XQZNTIVNRLZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(4-6-12)8-14(3)11-5-7-13(2)9-11/h10-11H,4-9,12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 115202508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).