N,N',2-trimethylpentane-1,5-diamine

C8H20N2 — CID 18952778

IUPACN,N',2-trimethylpentane-1,5-diamine
SMILESCNCCCC(C)CNC
InChIInChI=1S/C8H20N2/c1-8(7-10-3)5-4-6-9-2/h8-10H,4-7H2,1-3H3
InChIKeyMDYXKIWSDJXPSK-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.84
Rot. Bonds6

About N,N',2-trimethylpentane-1,5-diamine

N,N',2-trimethylpentane-1,5-diamine (PubChem CID 18952778) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is N,N',2-trimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN,N',2-trimethylpentane-1,5-diamine
PubChem CID18952778
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC NameN,N',2-trimethylpentane-1,5-diamine
SMILESCNCCCC(C)CNC
InChIInChI=1S/C8H20N2/c1-8(7-10-3)5-4-6-9-2/h8-10H,4-7H2,1-3H3
InChIKeyMDYXKIWSDJXPSK-UHFFFAOYSA-N
XLogP0.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.84
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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Related Compounds

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N',2-dimethylpentane-1,5-diamine;methanol;propane
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N,5-dimethylhexan-1-amine;ethane
CID 142540507
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N,5-dimethyloctan-1-amine;ethane;molecular hydrogen
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Frequently Asked Questions

What is the IUPAC name of N,N',2-trimethylpentane-1,5-diamine?
The IUPAC name of N,N',2-trimethylpentane-1,5-diamine (CID 18952778) is N,N',2-trimethylpentane-1,5-diamine.
What is the SMILES notation for N,N',2-trimethylpentane-1,5-diamine?
The canonical SMILES for N,N',2-trimethylpentane-1,5-diamine is CNCCCC(C)CNC.
What is the InChIKey of N,N',2-trimethylpentane-1,5-diamine?
The InChIKey is MDYXKIWSDJXPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-8(7-10-3)5-4-6-9-2/h8-10H,4-7H2,1-3H3.
What are the key properties of N,N',2-trimethylpentane-1,5-diamine?
N,N',2-trimethylpentane-1,5-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',2-trimethylpentane-1,5-diamine is sourced from PubChem (CID 18952778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).