N'-tert-butylpentane-1,5-diamine

C9H22N2 — CID 23346811

IUPACN'-tert-butylpentane-1,5-diamine
SMILESCC(C)(C)NCCCCCN
InChIInChI=1S/C9H22N2/c1-9(2,3)11-8-6-4-5-7-10/h11H,4-8,10H2,1-3H3
InChIKeyAZKZKJPKBNNIEC-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.50
Rot. Bonds5

About N'-tert-butylpentane-1,5-diamine

N'-tert-butylpentane-1,5-diamine (PubChem CID 23346811) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-tert-butylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-tert-butylpentane-1,5-diamine
PubChem CID23346811
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-tert-butylpentane-1,5-diamine
SMILESCC(C)(C)NCCCCCN
InChIInChI=1S/C9H22N2/c1-9(2,3)11-8-6-4-5-7-10/h11H,4-8,10H2,1-3H3
InChIKeyAZKZKJPKBNNIEC-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.50
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'-tert-butylpentane-1,5-diamine?
The IUPAC name of N'-tert-butylpentane-1,5-diamine (CID 23346811) is N'-tert-butylpentane-1,5-diamine.
What is the SMILES notation for N'-tert-butylpentane-1,5-diamine?
The canonical SMILES for N'-tert-butylpentane-1,5-diamine is CC(C)(C)NCCCCCN.
What is the InChIKey of N'-tert-butylpentane-1,5-diamine?
The InChIKey is AZKZKJPKBNNIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-9(2,3)11-8-6-4-5-7-10/h11H,4-8,10H2,1-3H3.
What are the key properties of N'-tert-butylpentane-1,5-diamine?
N'-tert-butylpentane-1,5-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butylpentane-1,5-diamine is sourced from PubChem (CID 23346811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).