N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine

C21H43NO — CID 170045305

IUPACN-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine
SMILESC=C(CCCC(C)(C)C(C)C)NC(CCCC(C)C)COCC
InChIInChI=1S/C21H43NO/c1-9-23-16-20(14-10-12-17(2)3)22-19(6)13-11-15-21(7,8)18(4)5/h17-18,20,22H,6,9-16H2,1-5,7-8H3
InChIKeyNCEDRZDANISLLH-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.17
Rot. Bonds14

About N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine

N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine (PubChem CID 170045305) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine.

Molecular Properties

Compound NameN-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine
PubChem CID170045305
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC NameN-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine
SMILESC=C(CCCC(C)(C)C(C)C)NC(CCCC(C)C)COCC
InChIInChI=1S/C21H43NO/c1-9-23-16-20(14-10-12-17(2)3)22-19(6)13-11-15-21(7,8)18(4)5/h17-18,20,22H,6,9-16H2,1-5,7-8H3
InChIKeyNCEDRZDANISLLH-UHFFFAOYSA-N
XLogP6.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine?
The IUPAC name of N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine (CID 170045305) is N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine.
What is the SMILES notation for N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine?
The canonical SMILES for N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine is C=C(CCCC(C)(C)C(C)C)NC(CCCC(C)C)COCC.
What is the InChIKey of N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine?
The InChIKey is NCEDRZDANISLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-9-23-16-20(14-10-12-17(2)3)22-19(6)13-11-15-21(7,8)18(4)5/h17-18,20,22H,6,9-16H2,1-5,7-8H3.
What are the key properties of N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine?
N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine has a molecular weight of 325.58 g/mol, XLogP of 6.17, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-6-methylheptan-2-yl)-6,6,7-trimethyloct-1-en-2-amine is sourced from PubChem (CID 170045305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).