N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine

C18H40N2O — CID 22000727

IUPACN'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine
SMILESCC(C)CCCCCCCCCOCCCNCCCN
InChIInChI=1S/C18H40N2O/c1-18(2)12-8-6-4-3-5-7-9-16-21-17-11-15-20-14-10-13-19/h18,20H,3-17,19H2,1-2H3
InChIKeyZWTRSONZRSNVMH-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.11
Rot. Bonds17

About N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine

N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine (PubChem CID 22000727) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine
PubChem CID22000727
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine
SMILESCC(C)CCCCCCCCCOCCCNCCCN
InChIInChI=1S/C18H40N2O/c1-18(2)12-8-6-4-3-5-7-9-16-21-17-11-15-20-14-10-13-19/h18,20H,3-17,19H2,1-2H3
InChIKeyZWTRSONZRSNVMH-UHFFFAOYSA-N
XLogP4.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine (CID 22000727) is N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine is CC(C)CCCCCCCCCOCCCNCCCN.
What is the InChIKey of N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine?
The InChIKey is ZWTRSONZRSNVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-18(2)12-8-6-4-3-5-7-9-16-21-17-11-15-20-14-10-13-19/h18,20H,3-17,19H2,1-2H3.
What are the key properties of N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine?
N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine has a molecular weight of 300.53 g/mol, XLogP of 4.11, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(10-methylundecoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 22000727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).