N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine

C12H27N3 — CID 81080728

IUPACN',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
SMILESCC(CN)CCN(C)CCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(11-13)5-8-14(2)9-10-15-6-3-4-7-15/h12H,3-11,13H2,1-2H3
InChIKeyFWEKSVBJEUIZSR-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds7

About N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine

N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine (PubChem CID 81080728) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
PubChem CID81080728
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
SMILESCC(CN)CCN(C)CCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(11-13)5-8-14(2)9-10-15-6-3-4-7-15/h12H,3-11,13H2,1-2H3
InChIKeyFWEKSVBJEUIZSR-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

4-(azetidin-1-yl)-2-methylbutan-1-amine
CID 130547472
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
N'-ethyl-N',2-dimethylbutane-1,4-diamine
CID 81079542
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
CID 63207050
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268
2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
N-ethyl-N-methyl-2-piperidin-1-ylethanamine
CID 18427099
N',2-dimethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080701
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,2-diamine
CID 63209097

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
The IUPAC name of N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine (CID 81080728) is N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
The canonical SMILES for N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine is CC(CN)CCN(C)CCN1CCCC1.
What is the InChIKey of N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
The InChIKey is FWEKSVBJEUIZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(11-13)5-8-14(2)9-10-15-6-3-4-7-15/h12H,3-11,13H2,1-2H3.
What are the key properties of N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine?
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine is sourced from PubChem (CID 81080728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).