1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine

C12H27N3 — CID 104872007

IUPAC1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
SMILESCC(CCN(C)C)NCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(6-10-14(2)3)13-7-11-15-8-4-5-9-15/h12-13H,4-11H2,1-3H3
InChIKeyXZNWRUYXGOEOBW-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.01
Rot. Bonds7

About 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine

1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine (PubChem CID 104872007) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
PubChem CID104872007
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
SMILESCC(CCN(C)C)NCCN1CCCC1
InChIInChI=1S/C12H27N3/c1-12(6-10-14(2)3)13-7-11-15-8-4-5-9-15/h12-13H,4-11H2,1-3H3
InChIKeyXZNWRUYXGOEOBW-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
5-chloro-N-(2-pyrrolidin-1-ylethyl)pentan-2-amine
CID 107913763
N-[2-(azepan-1-yl)ethyl]heptan-2-amine
CID 61241150
4-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 115970429
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
CID 114015010
1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
CID 55161282
N-[2-(azocan-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62573966
4-phenyl-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181589

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
The IUPAC name of 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine (CID 104872007) is 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine is CC(CCN(C)C)NCCN1CCCC1.
What is the InChIKey of 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
The InChIKey is XZNWRUYXGOEOBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-12(6-10-14(2)3)13-7-11-15-8-4-5-9-15/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine?
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine is sourced from PubChem (CID 104872007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).