N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine

C12H25N3 — CID 62835220

IUPACN'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNC1CCN(C2CC2)C1
InChIInChI=1S/C12H25N3/c1-2-13-7-3-8-14-11-6-9-15(10-11)12-4-5-12/h11-14H,2-10H2,1H3
InChIKeyZFGXNMIQCHFSLB-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.81
Rot. Bonds7

About N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine

N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine (PubChem CID 62835220) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
PubChem CID62835220
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC NameN'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine
SMILESCCNCCCNC1CCN(C2CC2)C1
InChIInChI=1S/C12H25N3/c1-2-13-7-3-8-14-11-6-9-15(10-11)12-4-5-12/h11-14H,2-10H2,1H3
InChIKeyZFGXNMIQCHFSLB-UHFFFAOYSA-N
XLogP0.81
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.81
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

N-ethyl-1-(4-methylcyclohexyl)pyrrolidin-3-amine
CID 43315476
1-cyclopropyl-N-[3-(cyclopropylmethoxy)propyl]pyrrolidin-3-amine
CID 62980928
3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1-sulfonamide
CID 62982190
1-cyclopropyl-N-heptylpiperidin-4-amine
CID 43747044
N'-(1-cyclopropylpyrrolidin-3-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260589
N'-(1-cyclopropylpyrrolidin-3-yl)-2-methylbutane-1,4-diamine
CID 81079562
N'-cyclopropyl-N-ethylheptane-1,7-diamine
CID 66321914
N'-(1-cyclopropylpyrrolidin-3-yl)-2-ethoxybutane-1,4-diamine
CID 114227665
(3R)-1-cyclopropyl-N-[2-(2-methylpropoxy)ethyl]pyrrolidin-3-amine
CID 97230823
2-[(1-cyclopropylpyrrolidin-3-yl)amino]ethyl carbamate
CID 83202820
1-(1,1-dioxothiolan-3-yl)-N-ethylpyrrolidin-3-amine
CID 43315216
N'-(1-cyclopropylpyrrolidin-3-yl)-2-propylpropane-1,3-diamine
CID 65232832

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine?
The IUPAC name of N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine (CID 62835220) is N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine is CCNCCCNC1CCN(C2CC2)C1.
What is the InChIKey of N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine?
The InChIKey is ZFGXNMIQCHFSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-2-13-7-3-8-14-11-6-9-15(10-11)12-4-5-12/h11-14H,2-10H2,1H3.
What are the key properties of N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine?
N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine has a molecular weight of 211.35 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylpyrrolidin-3-yl)-N-ethylpropane-1,3-diamine is sourced from PubChem (CID 62835220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).