N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine

C15H34N2 — CID 62434303

IUPACN-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
SMILESCC(C)C(C)N(C)CCCCCNC(C)(C)C
InChIInChI=1S/C15H34N2/c1-13(2)14(3)17(7)12-10-8-9-11-16-15(4,5)6/h13-14,16H,8-12H2,1-7H3
InChIKeyLKKZWNSVUWWFLN-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.52
Rot. Bonds8

About N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine

N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine (PubChem CID 62434303) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
PubChem CID62434303
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine
SMILESCC(C)C(C)N(C)CCCCCNC(C)(C)C
InChIInChI=1S/C15H34N2/c1-13(2)14(3)17(7)12-10-8-9-11-16-15(4,5)6/h13-14,16H,8-12H2,1-7H3
InChIKeyLKKZWNSVUWWFLN-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)propane-1,3-diamine
CID 60850482
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)butane-1,4-diamine
CID 62432648
N-tert-butyl-N'-methyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 62422222
N'-methyl-N'-(3-methylbutan-2-yl)hexane-1,6-diamine
CID 43570225
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
2-methyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64796845
N-ethyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387174
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
N-tert-butyl-N'-[2-(dimethylamino)ethyl]-N'-propylpentane-1,5-diamine
CID 55072277

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine?
The IUPAC name of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine (CID 62434303) is N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine?
The canonical SMILES for N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine is CC(C)C(C)N(C)CCCCCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine?
The InChIKey is LKKZWNSVUWWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-13(2)14(3)17(7)12-10-8-9-11-16-15(4,5)6/h13-14,16H,8-12H2,1-7H3.
What are the key properties of N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine?
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 62434303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).