N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine

C9H20N2O — CID 43137464

IUPACN'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)C1CC1
InChIInChI=1S/C9H20N2O/c1-12-8-7-11(6-2-5-10)9-3-4-9/h9H,2-8,10H2,1H3
InChIKeyJKXJUFUDDQUJEH-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.45
Rot. Bonds7

About N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine

N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 43137464) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID43137464
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCOCCN(CCCN)C1CC1
InChIInChI=1S/C9H20N2O/c1-12-8-7-11(6-2-5-10)9-3-4-9/h9H,2-8,10H2,1H3
InChIKeyJKXJUFUDDQUJEH-UHFFFAOYSA-N
XLogP0.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine (CID 43137464) is N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine is COCCN(CCCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is JKXJUFUDDQUJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-12-8-7-11(6-2-5-10)9-3-4-9/h9H,2-8,10H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 43137464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).