N'-(1-adamantyl)propane-1,3-diamine

C13H24N2 — CID 5032001

IUPACN'-(1-adamantyl)propane-1,3-diamine
SMILESNCCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H24N2/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,1-9,14H2
InChIKeyPEISMEIIGOUEOP-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.89
Rot. Bonds4

About N'-(1-adamantyl)propane-1,3-diamine

N'-(1-adamantyl)propane-1,3-diamine (PubChem CID 5032001) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N'-(1-adamantyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-adamantyl)propane-1,3-diamine
PubChem CID5032001
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN'-(1-adamantyl)propane-1,3-diamine
SMILESNCCCNC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H24N2/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,1-9,14H2
InChIKeyPEISMEIIGOUEOP-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-(1-adamantyl)propane-1,3-diamine?
The IUPAC name of N'-(1-adamantyl)propane-1,3-diamine (CID 5032001) is N'-(1-adamantyl)propane-1,3-diamine.
What is the SMILES notation for N'-(1-adamantyl)propane-1,3-diamine?
The canonical SMILES for N'-(1-adamantyl)propane-1,3-diamine is NCCCNC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(1-adamantyl)propane-1,3-diamine?
The InChIKey is PEISMEIIGOUEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c14-2-1-3-15-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,15H,1-9,14H2.
What are the key properties of N'-(1-adamantyl)propane-1,3-diamine?
N'-(1-adamantyl)propane-1,3-diamine has a molecular weight of 208.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-adamantyl)propane-1,3-diamine is sourced from PubChem (CID 5032001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).