N-butyl-N'-tert-butyloctane-1,8-diamine

C16H36N2 — CID 159630261

IUPACN-butyl-N'-tert-butyloctane-1,8-diamine
SMILESCCCCNCCCCCCCCNC(C)(C)C
InChIInChI=1S/C16H36N2/c1-5-6-13-17-14-11-9-7-8-10-12-15-18-16(2,3)4/h17-18H,5-15H2,1-4H3
InChIKeyFMDVPJYODVNUOF-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.10
Rot. Bonds12

About N-butyl-N'-tert-butyloctane-1,8-diamine

N-butyl-N'-tert-butyloctane-1,8-diamine (PubChem CID 159630261) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is N-butyl-N'-tert-butyloctane-1,8-diamine.

Molecular Properties

Compound NameN-butyl-N'-tert-butyloctane-1,8-diamine
PubChem CID159630261
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC NameN-butyl-N'-tert-butyloctane-1,8-diamine
SMILESCCCCNCCCCCCCCNC(C)(C)C
InChIInChI=1S/C16H36N2/c1-5-6-13-17-14-11-9-7-8-10-12-15-18-16(2,3)4/h17-18H,5-15H2,1-4H3
InChIKeyFMDVPJYODVNUOF-UHFFFAOYSA-N
XLogP4.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.10
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

N-butyl-N'-tert-butylpropane-1,3-diamine
CID 60669474
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-butyltetradecan-1-amine
CID 3548872
N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
methane;N-octyloctan-1-amine
CID 87294693

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-tert-butyloctane-1,8-diamine?
The IUPAC name of N-butyl-N'-tert-butyloctane-1,8-diamine (CID 159630261) is N-butyl-N'-tert-butyloctane-1,8-diamine.
What is the SMILES notation for N-butyl-N'-tert-butyloctane-1,8-diamine?
The canonical SMILES for N-butyl-N'-tert-butyloctane-1,8-diamine is CCCCNCCCCCCCCNC(C)(C)C.
What is the InChIKey of N-butyl-N'-tert-butyloctane-1,8-diamine?
The InChIKey is FMDVPJYODVNUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-5-6-13-17-14-11-9-7-8-10-12-15-18-16(2,3)4/h17-18H,5-15H2,1-4H3.
What are the key properties of N-butyl-N'-tert-butyloctane-1,8-diamine?
N-butyl-N'-tert-butyloctane-1,8-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.10, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-tert-butyloctane-1,8-diamine is sourced from PubChem (CID 159630261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).