N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine

C29H62N2 — CID 158014469

IUPACN,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
SMILESCC(C)CC(C)CCC(C)(C)CNCCCCCNCC(C)(C)CCC(C)CC(C)C
InChIInChI=1S/C29H62N2/c1-24(2)20-26(5)14-16-28(7,8)22-30-18-12-11-13-19-31-23-29(9,10)17-15-27(6)21-25(3)4/h24-27,30-31H,11-23H2,1-10H3
InChIKeyMFCCWGFPALOZFU-UHFFFAOYSA-N
MW438.83 g/mol
LogP8.31
Rot. Bonds20

About N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine

N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine (PubChem CID 158014469) has the molecular formula C29H62N2 and a molecular weight of 438.83 g/mol. Its IUPAC name is N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
PubChem CID158014469
Molecular FormulaC29H62N2
Molecular Weight438.83 g/mol
Exact Mass438.49
IUPAC NameN,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine
SMILESCC(C)CC(C)CCC(C)(C)CNCCCCCNCC(C)(C)CCC(C)CC(C)C
InChIInChI=1S/C29H62N2/c1-24(2)20-26(5)14-16-28(7,8)22-30-18-12-11-13-19-31-23-29(9,10)17-15-27(6)21-25(3)4/h24-27,30-31H,11-23H2,1-10H3
InChIKeyMFCCWGFPALOZFU-UHFFFAOYSA-N
XLogP8.31
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.83
LogP ≤ 58.31
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

4,4-dimethyl-5-(5-methylhexylamino)pentanenitrile
CID 115654451
2,2,5-trimethyl-N-propylhexane-1,6-diamine
CID 19427160
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
5-chloro-2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 106140823
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
2,2,5,7-tetramethyloctanal
CID 90450835
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
7-ethyl-2,4,7-trimethylnonane
CID 57492126
N-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine?
The IUPAC name of N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine (CID 158014469) is N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine is CC(C)CC(C)CCC(C)(C)CNCCCCCNCC(C)(C)CCC(C)CC(C)C.
What is the InChIKey of N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine?
The InChIKey is MFCCWGFPALOZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H62N2/c1-24(2)20-26(5)14-16-28(7,8)22-30-18-12-11-13-19-31-23-29(9,10)17-15-27(6)21-25(3)4/h24-27,30-31H,11-23H2,1-10H3.
What are the key properties of N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine?
N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine has a molecular weight of 438.83 g/mol, XLogP of 8.31, 20 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,5,7-tetramethyloctyl)pentane-1,5-diamine is sourced from PubChem (CID 158014469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).