3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine

C17H38N2 — CID 63494212

IUPAC3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)CC(C)C)C(C)(C)C
InChIInChI=1S/C17H38N2/c1-9-18-16(17(6,7)8)10-11-19(12-14(2)3)13-15(4)5/h14-16,18H,9-13H2,1-8H3
InChIKeyXOWABYZDHLLHHW-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.01
Rot. Bonds9

About 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine

3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine (PubChem CID 63494212) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
PubChem CID63494212
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
SMILESCCNC(CCN(CC(C)C)CC(C)C)C(C)(C)C
InChIInChI=1S/C17H38N2/c1-9-18-16(17(6,7)8)10-11-19(12-14(2)3)13-15(4)5/h14-16,18H,9-13H2,1-8H3
InChIKeyXOWABYZDHLLHHW-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-diethyl-4,4-dimethyl-1-N-propylpentane-1,3-diamine
CID 62623521
1-N-ethyl-3-N,4,4-trimethyl-1-N-(2-methylpropyl)pentane-1,3-diamine
CID 62623709
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
3-N-ethyl-1-N,4,4-trimethyl-1-N-propylpentane-1,3-diamine
CID 62624784
1-N,1-N,4,4-tetramethyl-3-N-(2-methylpropyl)pentane-1,3-diamine
CID 115876449
1-N-cyclopropyl-2-N-ethyl-3,3-dimethyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78976660
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
CID 115854187
1-[[4,4-dimethyl-3-(propylamino)pentyl]-methylamino]propan-2-ol
CID 62623379
2-N-ethyl-1-N,3,3-trimethyl-1-N-(2-propan-2-yloxyethyl)butane-1,2-diamine
CID 81055398
N-ethyl-2,2-dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616639

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine?
The IUPAC name of 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine (CID 63494212) is 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine is CCNC(CCN(CC(C)C)CC(C)C)C(C)(C)C.
What is the InChIKey of 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine?
The InChIKey is XOWABYZDHLLHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-9-18-16(17(6,7)8)10-11-19(12-14(2)3)13-15(4)5/h14-16,18H,9-13H2,1-8H3.
What are the key properties of 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine?
3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine is sourced from PubChem (CID 63494212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).