(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine

C16H25N — CID 130444240

IUPAC(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine
SMILESC=C1/C=C\C(C)C(C)C(N(C)CC)/C=C\C1=C
InChIInChI=1S/C16H25N/c1-7-17(6)16-11-10-13(3)12(2)8-9-14(4)15(16)5/h8-11,14-16H,2-3,7H2,1,4-6H3/b9-8-,11-10-
InChIKeyBEDUSSKSUMQQOE-XESWYYRISA-N
MW231.38 g/mol
LogP3.82
Rot. Bonds2

About (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine

(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine (PubChem CID 130444240) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine
PubChem CID130444240
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine
SMILESC=C1/C=C\C(C)C(C)C(N(C)CC)/C=C\C1=C
InChIInChI=1S/C16H25N/c1-7-17(6)16-11-10-13(3)12(2)8-9-14(4)15(16)5/h8-11,14-16H,2-3,7H2,1,4-6H3/b9-8-,11-10-
InChIKeyBEDUSSKSUMQQOE-XESWYYRISA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine?
The IUPAC name of (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine (CID 130444240) is (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine.
What is the SMILES notation for (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine?
The canonical SMILES for (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine is C=C1/C=C\C(C)C(C)C(N(C)CC)/C=C\C1=C.
What is the InChIKey of (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine?
The InChIKey is BEDUSSKSUMQQOE-XESWYYRISA-N. The full InChI is InChI=1S/C16H25N/c1-7-17(6)16-11-10-13(3)12(2)8-9-14(4)15(16)5/h8-11,14-16H,2-3,7H2,1,4-6H3/b9-8-,11-10-.
What are the key properties of (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine?
(2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine has a molecular weight of 231.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z)-N-ethyl-N,8,9-trimethyl-4,5-dimethylidenecyclonona-2,6-dien-1-amine is sourced from PubChem (CID 130444240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).