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

C14H31N3 — CID 63207050

IUPAC4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
SMILESCCNC(C)CCCN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-4-15-14(2)8-7-9-16(3)12-13-17-10-5-6-11-17/h14-15H,4-13H2,1-3H3
InChIKeyNIUSZNHPOCVCFS-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.79
Rot. Bonds9

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

4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine (PubChem CID 63207050) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
PubChem CID63207050
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine
SMILESCCNC(C)CCCN(C)CCN1CCCC1
InChIInChI=1S/C14H31N3/c1-4-15-14(2)8-7-9-16(3)12-13-17-10-5-6-11-17/h14-15H,4-13H2,1-3H3
InChIKeyNIUSZNHPOCVCFS-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-5-N-propyl-1-N-(2-pyrrolidin-1-ylethyl)hexane-1,5-diamine
CID 55161282
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 63693980
2-N-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pentane-2,4-diamine
CID 64708264
4-N-ethyl-1-N-(3-methoxypropyl)-1-N-methylpentane-1,4-diamine
CID 62983591
2-ethyl-5-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106808849
3-butan-2-yloxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 135182025
2-N-methyl-1-N-pentan-2-yl-2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 55163822
N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
N-ethyl-6-(1,4-oxazepan-4-yl)hexan-2-amine
CID 62987110
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
1-N,1-N-dimethyl-3-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 104872007

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine (CID 63207050) is 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine is CCNC(C)CCCN(C)CCN1CCCC1.
What is the InChIKey of 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine?
The InChIKey is NIUSZNHPOCVCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-4-15-14(2)8-7-9-16(3)12-13-17-10-5-6-11-17/h14-15H,4-13H2,1-3H3.
What are the key properties of 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine?
4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)pentane-1,4-diamine is sourced from PubChem (CID 63207050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).