(3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine

C16H29N — CID 130469959

IUPAC(3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine
SMILESC=C(/C=C\C=C/C)[C@@H]([C@H](CC)C(C)C)N(C)C
InChIInChI=1S/C16H29N/c1-8-10-11-12-14(5)16(17(6)7)15(9-2)13(3)4/h8,10-13,15-16H,5,9H2,1-4,6-7H3/b10-8-,12-11-/t15-,16+/m1/s1
InChIKeyFVEIVMMUUUIWIL-WRPGOPMYSA-N
MW235.41 g/mol
LogP4.29
Rot. Bonds7

About (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine

(3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine (PubChem CID 130469959) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine.

Molecular Properties

Compound Name(3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine
PubChem CID130469959
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine
SMILESC=C(/C=C\C=C/C)[C@@H]([C@H](CC)C(C)C)N(C)C
InChIInChI=1S/C16H29N/c1-8-10-11-12-14(5)16(17(6)7)15(9-2)13(3)4/h8,10-13,15-16H,5,9H2,1-4,6-7H3/b10-8-,12-11-/t15-,16+/m1/s1
InChIKeyFVEIVMMUUUIWIL-WRPGOPMYSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine?
The IUPAC name of (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine (CID 130469959) is (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine.
What is the SMILES notation for (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine?
The canonical SMILES for (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine is C=C(/C=C\C=C/C)[C@@H]([C@H](CC)C(C)C)N(C)C.
What is the InChIKey of (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine?
The InChIKey is FVEIVMMUUUIWIL-WRPGOPMYSA-N. The full InChI is InChI=1S/C16H29N/c1-8-10-11-12-14(5)16(17(6)7)15(9-2)13(3)4/h8,10-13,15-16H,5,9H2,1-4,6-7H3/b10-8-,12-11-/t15-,16+/m1/s1.
What are the key properties of (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine?
(3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine has a molecular weight of 235.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,6Z,8Z)-3-ethyl-N,N,2-trimethyl-5-methylidenedeca-6,8-dien-4-amine is sourced from PubChem (CID 130469959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).