1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine

C14H31N3 — CID 114015010

IUPAC1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCN1CCCC1
InChIInChI=1S/C14H31N3/c1-13(2)11-14(12-16(3)4)15-7-10-17-8-5-6-9-17/h13-15H,5-12H2,1-4H3
InChIKeyAACAHNUQSARHQC-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds8

About 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine (PubChem CID 114015010) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
PubChem CID114015010
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCCN1CCCC1
InChIInChI=1S/C14H31N3/c1-13(2)11-14(12-16(3)4)15-7-10-17-8-5-6-9-17/h13-15H,5-12H2,1-4H3
InChIKeyAACAHNUQSARHQC-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-(3-piperidin-1-ylpropyl)heptan-4-amine
CID 29046500
N-[2-(azocan-1-yl)ethyl]propan-2-amine
CID 60841843
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007
ethane;N-(2-pyrrolidin-1-ylethyl)pentan-3-amine
CID 142155161
2-(2-pyrrolidin-1-ylethylamino)propane-1,3-diol
CID 107911684
N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 43181621
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
1-(2-piperidin-1-ylethylamino)ethanethiol
CID 129067667
2-N-[2-(tert-butylamino)ethyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 107445286
1-chloro-N-(2-pyrrolidin-1-ylethyl)butan-2-amine
CID 107913663
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
2,8-dimethyl-N-(4-piperidin-1-ylbutyl)nonan-5-amine
CID 15030022

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine (CID 114015010) is 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine is CC(C)CC(CN(C)C)NCCN1CCCC1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
The InChIKey is AACAHNUQSARHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)11-14(12-16(3)4)15-7-10-17-8-5-6-9-17/h13-15H,5-12H2,1-4H3.
What are the key properties of 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-(2-pyrrolidin-1-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 114015010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).