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

C12H27N3 — CID 115204376

IUPACN,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
SMILESCN1CCC(N(C)CC(C)(C)CCN)C1
InChIInChI=1S/C12H27N3/c1-12(2,6-7-13)10-15(4)11-5-8-14(3)9-11/h11H,5-10,13H2,1-4H3
InChIKeyCHGDCQIQGDUEKG-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

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

N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine (PubChem CID 115204376) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
PubChem CID115204376
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
SMILESCN1CCC(N(C)CC(C)(C)CCN)C1
InChIInChI=1S/C12H27N3/c1-12(2,6-7-13)10-15(4)11-5-8-14(3)9-11/h11H,5-10,13H2,1-4H3
InChIKeyCHGDCQIQGDUEKG-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-N,2,2-trimethylbutane-1,4-diamine
CID 115204377
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
N',3,3-trimethyl-N'-[(1-methylpiperidin-4-yl)methyl]hexane-1,6-diamine
CID 65296305
N'-(1-cyclopropylpyrrolidin-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79645337
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
4-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)butanamide
CID 115156994
2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
N,1-dimethyl-N-(3-methyl-3-piperazin-1-ylbutyl)pyrrolidin-3-amine
CID 115255572
N'-methyl-N'-(1-methylpiperidin-3-yl)propane-1,3-diamine
CID 62545866
4-amino-N,3,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 115157304
N,2-dimethyl-N-(1-methylpiperidin-3-yl)-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62545961

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
The IUPAC name of N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine (CID 115204376) is N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine.
What is the SMILES notation for N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
The canonical SMILES for N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine is CN1CCC(N(C)CC(C)(C)CCN)C1.
What is the InChIKey of N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
The InChIKey is CHGDCQIQGDUEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(2,6-7-13)10-15(4)11-5-8-14(3)9-11/h11H,5-10,13H2,1-4H3.
What are the key properties of N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine?
N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine is sourced from PubChem (CID 115204376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).