N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

C11H25N3 — CID 53215588

IUPACN-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCCNCCNCCN1CCCC1
InChIInChI=1S/C11H25N3/c1-2-5-12-6-7-13-8-11-14-9-3-4-10-14/h12-13H,2-11H2,1H3
InChIKeyKRPRUFWIQPLNPM-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.67
Rot. Bonds8

About N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine

N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (PubChem CID 53215588) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
PubChem CID53215588
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
SMILESCCCNCCNCCN1CCCC1
InChIInChI=1S/C11H25N3/c1-2-5-12-6-7-13-8-11-14-9-3-4-10-14/h12-13H,2-11H2,1H3
InChIKeyKRPRUFWIQPLNPM-UHFFFAOYSA-N
XLogP0.67
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]propan-1-amine
CID 61386658
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N'-[2-(aziridin-1-yl)ethyl]-N-ethylethane-1,2-diamine
CID 20801424
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
3-methyl-N-(2-pyrrolidin-1-ylethyl)butan-1-amine
CID 28653628
N-(2-ethoxyethyl)-2-piperidin-1-ylethanamine
CID 60697193
2-(azepan-1-yl)-N-(2-chloroethyl)ethanamine
CID 53215657
N-(2-bromoethyl)-2-piperidin-1-ylethanamine
CID 46738415
N-(2-iodoethyl)-2-piperidin-1-ylethanamine
CID 122495031

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine (CID 53215588) is N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is CCCNCCNCCN1CCCC1.
What is the InChIKey of N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
The InChIKey is KRPRUFWIQPLNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-2-5-12-6-7-13-8-11-14-9-3-4-10-14/h12-13H,2-11H2,1H3.
What are the key properties of N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine?
N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 53215588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).