N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine

C19H42N2 — CID 167212772

IUPACN'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine
SMILESCCCN(CCCCC(C)(C)CN(C)CC)CC(C)(C)C
InChIInChI=1S/C19H42N2/c1-9-14-21(16-18(3,4)5)15-12-11-13-19(6,7)17-20(8)10-2/h9-17H2,1-8H3
InChIKeyRLJCLTHTYWHDHC-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.89
Rot. Bonds11

About N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine

N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine (PubChem CID 167212772) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine
PubChem CID167212772
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC NameN'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine
SMILESCCCN(CCCCC(C)(C)CN(C)CC)CC(C)(C)C
InChIInChI=1S/C19H42N2/c1-9-14-21(16-18(3,4)5)15-12-11-13-19(6,7)17-20(8)10-2/h9-17H2,1-8H3
InChIKeyRLJCLTHTYWHDHC-UHFFFAOYSA-N
XLogP4.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-N-undecylundecan-1-amine
CID 6426420
N-(2,2-dimethylpropyl)-N-ethyl-4,4-dimethylhexan-1-amine
CID 134441309
N,2,2-trimethyl-N-propylpentan-1-amine
CID 143480097
N-ethyl-N-methyl-N'-pentyl-N'-propylethane-1,2-diamine
CID 155107081
N'-(2,2-dimethylpropyl)-N'-propylmethanediamine
CID 163960252
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
N,N-diethyl-4,4-dimethyldecan-1-amine
CID 129028023
4-[2,2-dimethylhexyl(ethyl)amino]butanenitrile
CID 135191060
3-bromo-N,2,2-trimethyl-N-pentylpropan-1-amine
CID 65000482
N-but-3-enyl-2,2-dimethyl-N-propylpropan-1-amine;ethane
CID 176957810
N,2,2-trimethyl-N-propylbutan-1-amine
CID 58772817
2-(ethylamino)-2-methyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexan-1-ol
CID 64825496

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine?
The IUPAC name of N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine (CID 167212772) is N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine?
The canonical SMILES for N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine is CCCN(CCCCC(C)(C)CN(C)CC)CC(C)(C)C.
What is the InChIKey of N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine?
The InChIKey is RLJCLTHTYWHDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-9-14-21(16-18(3,4)5)15-12-11-13-19(6,7)17-20(8)10-2/h9-17H2,1-8H3.
What are the key properties of N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine?
N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine has a molecular weight of 298.56 g/mol, XLogP of 4.89, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-N-ethyl-N,2,2-trimethyl-N'-propylhexane-1,6-diamine is sourced from PubChem (CID 167212772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).