N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine

C13H30N2 — CID 62594005

IUPACN-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
SMILESCCCCCCN(C)CCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-7-8-9-11-15(5)12-10-14-13(2,3)4/h14H,6-12H2,1-5H3
InChIKeyKALXBKLUARIVPH-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.89
Rot. Bonds8

About N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine

N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine (PubChem CID 62594005) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
PubChem CID62594005
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC NameN-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine
SMILESCCCCCCN(C)CCNC(C)(C)C
InChIInChI=1S/C13H30N2/c1-6-7-8-9-11-15(5)12-10-14-13(2,3)4/h14H,6-12H2,1-5H3
InChIKeyKALXBKLUARIVPH-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.89
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'-nonylethane-1,2-diamine
CID 63526984
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine (CID 62594005) is N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine is CCCCCCN(C)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine?
The InChIKey is KALXBKLUARIVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-7-8-9-11-15(5)12-10-14-13(2,3)4/h14H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-hexyl-N'-methylethane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.89, 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'-hexyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62594005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).