ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine

C18H44N2 — CID 156821582

IUPACethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
SMILESCC.CC.CC(C)CCCN(C)C(C)CCCN(C)C
InChIInChI=1S/C14H32N2.2C2H6/c1-13(2)9-7-12-16(6)14(3)10-8-11-15(4)5;2*1-2/h13-14H,7-12H2,1-6H3;2*1-2H3
InChIKeyWXBOIQBRHHDSLD-UHFFFAOYSA-N
MW288.56 g/mol
LogP5.14
Rot. Bonds9

About ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine

ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine (PubChem CID 156821582) has the molecular formula C18H44N2 and a molecular weight of 288.56 g/mol. Its IUPAC name is ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine.

Molecular Properties

Compound Nameethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
PubChem CID156821582
Molecular FormulaC18H44N2
Molecular Weight288.56 g/mol
Exact Mass288.35
IUPAC Nameethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine
SMILESCC.CC.CC(C)CCCN(C)C(C)CCCN(C)C
InChIInChI=1S/C14H32N2.2C2H6/c1-13(2)9-7-12-16(6)14(3)10-8-11-15(4)5;2*1-2/h13-14H,7-12H2,1-6H3;2*1-2H3
InChIKeyWXBOIQBRHHDSLD-UHFFFAOYSA-N
XLogP5.14
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.56
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
3-[methyl(4-methylpentyl)amino]butanenitrile
CID 83155678
4-N-methyl-4-N-(3-methylbutyl)pentane-1,4-diamine
CID 62462204
2-N-[3-(dimethylamino)propyl]-2-N-methylpropane-1,2-diamine
CID 63693592
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N,4-dimethyl-N-[1-[1-[methyl(4-methylpentyl)amino]ethoxy]ethyl]pentan-1-amine
CID 162353486
propane;N,N,3-trimethylbutan-1-amine
CID 144828505
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63725131
N,N,N',N'-tetrakis(4-methylpentyl)methanediamine
CID 135274412
ethane;methanamine;N,N,3-trimethylbutan-1-amine
CID 143170086
N,N,N',N',2-pentamethylhexane-1,6-diamine
CID 161408283

Frequently Asked Questions

What is the IUPAC name of ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine?
The IUPAC name of ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine (CID 156821582) is ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine.
What is the SMILES notation for ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine?
The canonical SMILES for ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine is CC.CC.CC(C)CCCN(C)C(C)CCCN(C)C.
What is the InChIKey of ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine?
The InChIKey is WXBOIQBRHHDSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2.2C2H6/c1-13(2)9-7-12-16(6)14(3)10-8-11-15(4)5;2*1-2/h13-14H,7-12H2,1-6H3;2*1-2H3.
What are the key properties of ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine?
ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine has a molecular weight of 288.56 g/mol, XLogP of 5.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-N,1-N,4-N-trimethyl-4-N-(4-methylpentyl)pentane-1,4-diamine is sourced from PubChem (CID 156821582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).