N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine

C13H27N3 — CID 43121933

IUPACN,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine
SMILES[H]/N=C1\CCCN1C(C)CCCN(CC)CC
InChIInChI=1S/C13H27N3/c1-4-15(5-2)10-6-8-12(3)16-11-7-9-13(16)14/h12,14H,4-11H2,1-3H3/b14-13+
InChIKeyLMONHFOLLCJFDJ-BUHFOSPRSA-N
MW225.38 g/mol
LogP2.57
Rot. Bonds7

About N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine

N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine (PubChem CID 43121933) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine
PubChem CID43121933
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine
SMILES[H]/N=C1\CCCN1C(C)CCCN(CC)CC
InChIInChI=1S/C13H27N3/c1-4-15(5-2)10-6-8-12(3)16-11-7-9-13(16)14/h12,14H,4-11H2,1-3H3/b14-13+
InChIKeyLMONHFOLLCJFDJ-BUHFOSPRSA-N
XLogP2.57
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine?
The IUPAC name of N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine (CID 43121933) is N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine.
What is the SMILES notation for N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine?
The canonical SMILES for N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine is [H]/N=C1\CCCN1C(C)CCCN(CC)CC.
What is the InChIKey of N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine?
The InChIKey is LMONHFOLLCJFDJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-15(5-2)10-6-8-12(3)16-11-7-9-13(16)14/h12,14H,4-11H2,1-3H3/b14-13+.
What are the key properties of N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine?
N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(2-iminopyrrolidin-1-yl)pentan-1-amine is sourced from PubChem (CID 43121933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).